SCHEMBL11794899

SCHEMBL11794899

Nc1ccc(SOc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc(OSc5ccc(N)cc5)cc4)n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 3/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 3/20 0.46
ATM Q13315 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GLA P06280 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP3A4 P08684 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
HTT P42858 1/20 0.43
ADORA2A P29274 2/20 0.43
ADORA1 P30542 2/20 0.43
POLB P06746 1/20 0.43
ADORA3 P0DMS8 1/20 0.43

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
SCHEMBL28544453 0.82 MAOA (0.52) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL11800259 0.79 MAOA (0.65) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL12176998 0.78 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11585315 0.78 MEN1 (0.79) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL19417162 0.76 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL15684027 0.76 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL16614072 0.76 MEN1 (0.76) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL11794525 0.73 IKBKB (0.44) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL28711126 0.73 MAOA (0.55) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL27620437 0.72 SMN1; SMN2 (0.43) ALDH1A1MAPTHPGDHSD17B10MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3957726-A S-TRIAZINE-IMIDE COPOLYMERS CIBA-GEIGY CORPORATION (US) 1976-05-18 US disclosed