SCHEMBL9025868

SCHEMBL9025868

CN=C(N)N(c1cc2ccccc2o1)c1cc(Cl)ccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
ALOX15 P16050 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HSD17B10 Q99714 1/20 0.34
ALOX5 P09917 2/20 0.34
TYR P14679 1/20 0.34
DAO P14920 1/20 0.34
AKR1B1 P15121 1/20 0.34
STK17B O94768 1/20 0.34
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL9025574 0.85 CCR2 (0.42) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9026642 0.85 KMT2A (0.39) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9026539 0.84 SLC9A1 (0.37) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9026431 0.83 POLB (0.37) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9025076 0.81 MAPT (0.39) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9025850 0.78 RAB9A (0.37) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9026883 0.76 MAPT (0.34) HPGDTSHRMAPTLMNAALOX15
SCHEMBL9026261 0.76 TSHR (0.39) HPGDTSHRMAPTNPC1RAB9A
SCHEMBL9026398 0.76 KDM4E (0.39) HPGDTSHRMAPTLMNANPC1
SCHEMBL9025860 0.76 MAOA (0.32) MAOB

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