SCHEMBL9026642

SCHEMBL9026642

CN=C(N)N(c1cc2ccccc2o1)c1cc(Cl)ccc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
RAB9A P51151 3/20 0.39
HPGD P15428 6/20 0.38
KDM4E B2RXH2 5/20 0.38
TSHR P16473 4/20 0.38
HSD17B10 Q99714 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 2/20 0.38
TAAR1 Q96RJ0 1/20 0.38
NAMPT P43490 1/20 0.37
LMNA P02545 2/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL9025850 0.92 RAB9A (0.37) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026261 0.90 TSHR (0.39) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026398 0.90 KDM4E (0.39) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026539 0.89 SLC9A1 (0.37) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026431 0.89 POLB (0.37) KMT2AMEN1RAB9AHPGDTSHR
SCHEMBL9026419 0.88 HPGD (0.48) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9025661 0.88 TSHR (0.46) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026139 0.87 RAB9A (0.39) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9024890 0.87 RAB9A (0.39) KMT2AMEN1RAB9AHPGDKDM4E
SCHEMBL9026454 0.86 PTGS2 (0.39) KMT2AMEN1RAB9AHPGDKDM4E

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