SCHEMBL6949338

SCHEMBL6949338

N#Cc1ccc(Cc2nc(S)[nH]c2CO)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.41
SAE1 Q9UBE0 1/20 0.39
UBA2 Q9UBT2 1/20 0.39
LOXL2 Q9Y4K0 2/20 0.39
TYMP P19971 2/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP19A1 P11511 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BRS3 P32247 1/20 0.34
IDO1 P14902 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
NOTUM Q6P988 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7841070 0.84 LOXL2 (0.41) HRH3SAE1UBA2LOXL2TYMP
SCHEMBL8199608 0.80 HRH3 (0.37) HRH3TYMPMEN1KMT2A
SCHEMBL7957829 0.80 LMNA (0.38) TYMPMAPTIDO1
SCHEMBL6949843 0.79 LTB4R (0.50) KMT2A
SCHEMBL31591073 0.70 SAE1 (0.56) HRH3SAE1UBA2LOXL2CYP11B1
SCHEMBL7467898 0.70 LOXL2 (0.42) HRH3SAE1UBA2LOXL2TYMP
SCHEMBL10567579 0.69 HRH3 (0.54) HRH3SAE1UBA2LOXL2TYMP
SCHEMBL28560712 0.69 LOXL2 (0.41) HRH3SAE1UBA2LOXL2CYP11B1
SCHEMBL92970 0.68 LOXL2 (0.58) SAE1UBA2LOXL2CYP11B1CYP11B2
Hydrochloric Acid SCHEMBL7841514 0.68 LOXL2 (0.40) HRH3SAE1UBA2LOXL2TYMP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1158983-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2003-05-21 EP disclosed
EP-1165013-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-08-07 EP disclosed
EP-1227800-A1 OSMOTIC CONTROLLED RELEASE DRUG DELIVERY DEVICE Merck & Co., Inc. (US) 2002-08-07 EP disclosed
EP-1165082-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2002-06-12 EP disclosed
EP-1202747-A1 SUSTAINED RELEASE DRUG DISPERSION DELIVERY DEVICE Merck & Co., Inc. (US) 2002-05-08 EP disclosed
EP-1165082-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
EP-1165013-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2002-01-02 EP disclosed
EP-1158983-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-12-05 EP disclosed
EP-1087770-A4 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2001-11-14 EP disclosed
WO-2001045704-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2001-06-28 WO disclosed
EP-1087770-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2001-04-04 EP disclosed
WO-2001007437-A1 CRYSTAL FORMS OF 1-(3-CHLOROPHENYL)-4-[1-(4-CYANOBENZYL)-5-IMIDAZOLYLMETHYL]-2-PIPERAZINONE MERCK & CO., INC. (US) 2001-02-01 WO disclosed
WO-2001005430-A1 SUSTAINED RELEASE DRUG DISPERSION DELIVERY DEVICE MERCK & CO., INC. (US) 2001-01-25 WO disclosed
WO-2000059930-A1 A METHOD OF TREATING CANCER MERCK & CO., INC. (US) 2000-10-12 WO disclosed
WO-2000051547-A2 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051612-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000051611-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 2000-09-08 WO disclosed
WO-2000001691-A1 PROCESS FOR MAKING FARNESYL-PROTEIN TRANSFERASE INHIBITORS MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-2000001674-A1 PROCESS FOR MAKING 1,5-DISUBSTITUTED IMIDAZOLES MERCK & CO., INC. (US) 2000-01-13 WO disclosed
WO-1999065494-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-12-23 WO disclosed