SCHEMBL8618685

SCHEMBL8618685

Cc1nc(N)ccc1NC(=NC#N)Oc1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.34
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33
POLB P06746 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31

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
SCHEMBL8618684 1.00 KMT2A (0.34) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL14257406 0.88 KMT2A (0.35) KMT2APOLB
SCHEMBL14257259 0.80 P2RX7 (0.37) KMT2A
SCHEMBL17238106 0.80 P2RX7 (0.37) KMT2A
SCHEMBL4777722 0.78 RAB9A (0.43) KMT2APOLB
SCHEMBL4777719 0.78 RAB9A (0.43) KMT2APOLB
SCHEMBL14257564 0.78 RAB9A (0.43) KMT2APOLB
SCHEMBL11174712 0.78 HDAC1 (0.41) KMT2APOLB
SCHEMBL11174714 0.78 HDAC1 (0.41) KMT2APOLB
SCHEMBL7354921 0.76 CDK8 (0.38) KMT2A

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-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed