SCHEMBL7669882

SCHEMBL7669882

N#Cc1cccc(C(c2c[nH]cn2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.35
IDO1 P14902 1/20 0.34
KIF11 P52732 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
GRM4 Q14833 2/20 0.33
HPGDS O60760 1/20 0.33
MAOB P27338 1/20 0.33
TNF P01375 1/20 0.32
CYP19A1 P11511 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
CREBBP Q92793 1/20 0.32
HTT P42858 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL5891827 0.86 CYP19A1 (0.36) KIF11MAOBCYP19A1
SCHEMBL8149150 0.83 NR3C1 (0.35) MAOBCYP19A1ALDH1A1HTTLMNA
SCHEMBL7677950 0.80 CYP11B1 (0.36)
SCHEMBL8155413 0.79 ALDH1A1 (0.36) MAOBCYP19A1ALDH1A1
SCHEMBL8157364 0.79 XDH (0.36) CYP19A1ALDH1A1
SCHEMBL7664213 0.78 KIF11 (0.36) KIF11
SCHEMBL8109079 0.78 AR (0.36) SLC6A2SLC6A4HPGDS
SCHEMBL8155536 0.78 IMPDH2 (0.36) MAOB
SCHEMBL8150877 0.74 CYP2D6 (0.35) SLC6A2SLC6A4
SCHEMBL7663652 0.74

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6407132-B1 ANTIHISTAMINES, ANTIALLERGENS, ANTIASTHMATICS, ANTICONVULSANTS, AND ANTIDEPRESSANTS; SKIN RASH TREATMENT JAMES BLACK FOUNDATION LIMITED (GB) 2002-06-18 US disclosed
US-6093737-A Inhibitors of farnesyl-protein transferase MERCK & CO., INC. (US) 2000-07-25 US disclosed
EP-1003374-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE Merck & Co., Inc. (US) 2000-05-31 EP disclosed
EP-1003374-A4 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO INC (US) 2000-05-31 EP disclosed
WO-1998028980-A1 INHIBITORS OF FARNESYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1998-07-09 WO disclosed