SCHEMBL9031998

SCHEMBL9031998

CC(C)Oc1ccc(Cl)cc1C(N)c1cc2ccccc2o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
TP53 P04637 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP19A1 P11511 5/20 0.38
SLC9A1 P19634 1/20 0.38
SLC6A4 P31645 1/20 0.37
ALOX5 P09917 1/20 0.36
TLR8 Q9NR97 1/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 2/20 0.35
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
AGXT P21549 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34

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 0.87 KDM4E (0.43) MAPTTP53SMN1; SMN2CYP19A1SLC6A4
SCHEMBL9026023 0.85 SLC6A4 (0.42) MAPTTP53CYP19A1SLC9A1SLC6A4
SCHEMBL9025419 0.78 CYP19A1 (0.42) MAPTTP53SMN1; SMN2CYP19A1ALOX5
SCHEMBL9025458 0.77 CCR2 (0.48) MAPTSMN1; SMN2CYP19A1ALOX5HPGD
SCHEMBL9032014 0.76 MAPT (0.36) MAPTSLC9A1SLC6A4TLR8LMNA
SCHEMBL9025673 0.74 KMT2A (0.39) MAPTSMN1; SMN2SLC9A1ALOX5HPGD
SCHEMBL9026850 0.73 KDM4E (0.50) MAPTTP53SMN1; SMN2HPGDTSHR
SCHEMBL9025501 0.73 HPGD (0.50) MAPTTP53SMN1; SMN2HPGDTSHR
SCHEMBL9025274 0.72 SLC6A2 (0.36) MAPTTP53CYP19A1SLC6A4ALOX5
SCHEMBL9026646 0.72 TSHR (0.44) MAPTTP53SMN1; SMN2HPGDTSHR

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