SCHEMBL9026398

SCHEMBL9026398

CN=C(N)N(c1cc2ccccc2o1)c1cc(-c2ccc(Cl)cc2Cl)ccc1OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
HPGD P15428 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MAPT P10636 1/20 0.37
PTGS2 P35354 1/20 0.36
CRHR1 P34998 1/20 0.35
SLC9A1 P19634 3/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
RAB9A P51151 4/20 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
SCHEMBL9026454 0.92 PTGS2 (0.39) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9025850 0.90 RAB9A (0.37) KDM4EHPGDKMT2ALMNAALDH1A1
SCHEMBL9026642 0.90 KMT2A (0.39) KDM4EHPGDKMT2ALMNARXFP1
SCHEMBL9026261 0.88 TSHR (0.39) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9026095 0.83 HPGD (0.43) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9026343 0.81 KDM4E (0.39) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9026385 0.81 CRHR1 (0.35) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9026419 0.80 HPGD (0.48) KDM4EHPGDKMT2ALMNAALDH1A1
SCHEMBL9025661 0.80 TSHR (0.46) KDM4EHPGDKMT2AALDH1A1MEN1
SCHEMBL9026798 0.80 KDM4E (0.39) KDM4EHPGDKMT2ALMNAALDH1A1

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