SCHEMBL7843705

SCHEMBL7843705

CN(C)c1ccc(C(=O)Nc2ccc(N(S)C(=O)NCCc3ccc(F)cc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
NAMPT P43490 4/20 0.51
CNR1 P21554 2/20 0.50
RAB9A P51151 4/20 0.49
MAPT P10636 3/20 0.49
NPC1 O15118 2/20 0.49
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MCHR1 Q99705 1/20 0.49
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.45
TSHR P16473 1/20 0.45
MCL1 Q07820 1/20 0.45
HSD17B10 Q99714 1/20 0.45
FPR2 P25090 1/20 0.45

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
SCHEMBL7785673 0.94 MEN1 (0.55) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7782535 0.94 MEN1 (0.55) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7567764 0.90 ESRRG (0.52) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7569047 0.89 CNR1 (0.59) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7782983 0.89 NPC1 (0.56) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7598233 0.89 FPR2 (0.61) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7784397 0.88 MEN1 (0.49) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7574137 0.87 NAMPT (0.57) MEN1KMT2ANAMPTCNR1RAB9A
SCHEMBL7777597 0.87 MEN1 (0.51) MEN1KMT2ANAMPTRAB9AMAPT
SCHEMBL7568194 0.87 MEN1 (0.48) MEN1KMT2ANAMPTCNR1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140913-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-10 EP disclosed
EP-1137645-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
EP-1137647-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2001-10-04 EP disclosed
WO-2000034268-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034269-A1 THIOUREA INHIBITORS OF HERPES VIRUSES AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed
WO-2000034260-A2 ALPHA-METHYLBENZYL-CONTAINING THIOUREA INHIBITORS OF HERPES VIRUSES CONTAINING A PHENYLENEDIAMINE GROUP AMERICAN HOME PRODUCTS CORPORATION (US) 2000-06-15 WO disclosed