SCHEMBL9026646

SCHEMBL9026646

COc1cc(C)c(Cl)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
HSD17B10 Q99714 3/20 0.44
TAAR1 Q96RJ0 1/20 0.44
RAB9A P51151 7/20 0.39
NPC1 O15118 6/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.37
MAPT P10636 4/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9025551 0.82 KDM4E (0.43) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9278514 0.81 KDM4E (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9025501 0.81 HPGD (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9026850 0.78 KDM4E (0.50) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9030873 0.77 DRD2 (0.39) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9216010 0.77 RAB9A (0.42) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9025085 0.77 RAB9A (0.43) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9024885 0.77 KDM4E (0.43) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9026001 0.77 KMT2A (0.42) TSHRKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9026660 0.76 MAPT (0.35) TSHRKDM4EALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711290-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1996-05-15 EP disclosed
WO-1995004052-A1 METHYLGUANIDINE DERIVATIVES, METHODS FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAID DERIVATIVES SANOFI (FR) 1995-02-09 WO disclosed