SCHEMBL427180

SCHEMBL427180

Cc1ccc(/C(=N/N)c2cc(OCC(C)(C)O)nc(N3CCOCC3)n2)cc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
BRAF P15056 1/20 0.37
ATR Q13535 1/20 0.37
ATRIP Q8WXE1 1/20 0.37
PIK3R1 P27986 3/20 0.36
PIK3CA P42336 3/20 0.36
MTOR P42345 2/20 0.36
ALDH1A1 P00352 4/20 0.36
HSD17B10 Q99714 3/20 0.36
HPGD P15428 3/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 2/20 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
SCHEMBL303766 1.00 SMN1; SMN2 (0.39) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302528 0.89 MAPT (0.39) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL303591 0.89 SMN1; SMN2 (0.38) SMN1; SMN2KMT2AMEN1CA12CA1
SCHEMBL303780 0.89 BRAF (0.37) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302382 0.87 ALDH1A1 (0.44) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302239 0.85 KDM4E (0.41) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302237 0.85 KDM4E (0.41) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302488 0.85 ALDH1A1 (0.39) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302346 0.84 CA12 (0.36) SMN1; SMN2MAPTKMT2AMEN1CA12
SCHEMBL302309 0.84 ATR (0.42) SMN1; SMN2KMT2AMEN1BRAFATR

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
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO disclosed