SCHEMBL12856337

SCHEMBL12856337

Cc1cnn(C)c1-c1ccc(Cl)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.43
PRMT5 O14744 1/20 0.40
WDR77 Q9BQA1 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
MAPK1 P28482 1/20 0.40
KCNH2 Q12809 3/20 0.39
GRIN2B Q13224 1/20 0.39
NOTUM Q6P988 1/20 0.39
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
BRD4 O60885 1/20 0.38
CRHR1 P34998 1/20 0.38
CREBBP Q92793 1/20 0.38
HTR2A P28223 1/20 0.37
FPR2 P25090 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
SCHEMBL14996666 0.84 PDE2A (0.41) PDE2APRMT5WDR77NPC1RAB9A
SCHEMBL19369166 0.81 RAB9A (0.43) PDE2APRMT5WDR77TP53NOTUM
SCHEMBL21051439 0.81 NPC1 (0.42) USP2TP53NPC1MAPTRAB9A
SCHEMBL27037461 0.81 PDE2A (0.43) PDE2AMAPK1KCNH2NPC1MAPT
SCHEMBL31306342 0.81 ALDH1A1 (0.41) PDE2APRMT5WDR77USP2TP53
SCHEMBL9911757 0.80 PTGS2 (0.46) PDE2APRMT5WDR77NR1H2NR1H3
SCHEMBL9933261 0.79 HTR2A (0.54) PDE2APRMT5WDR77USP2TP53
SCHEMBL14996624 0.78 ALDH1A1 (0.41) PDE2ANPC1RAB9ASMN1; SMN2BRD4
SCHEMBL14996605 0.78 PDE2A (0.45) PDE2APRMT5WDR77MAPTRAB9A
SCHEMBL29096653 0.77 BRD4 (0.38) PDE2ABRD4CREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281810-B1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF SINOCHEM CORP (CN) 2014-02-19 EP disclosed
US-8455398-B2 Amide compounds, preparation methods and uses thereof SINOCHEM CORPORATION (CN) 2013-06-04 US disclosed
EP-2281810-A1 AMIDE COMPOUNDS, PREPARATION METHODS AND USES THEREOF Sinochem Corporation (CN) 2011-02-09 EP disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed