SCHEMBL9837084

SCHEMBL9837084

CCOC(=O)c1cnc2cc(-c3ccccc3)sc2c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
MAPT P10636 6/20 0.56
HPGD P15428 5/20 0.56
RAB9A P51151 4/20 0.56
HSD17B10 Q99714 2/20 0.56
GAA P10253 1/20 0.56
ALOX15 P16050 1/20 0.56
NPC1 O15118 3/20 0.53
KDM4E B2RXH2 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 2/20 0.52
MAPK1 P28482 1/20 0.52
ATM Q13315 1/20 0.52
TP53 P04637 2/20 0.51
STK17B O94768 1/20 0.49
THRB P10828 1/20 0.49
GSTO1 P78417 1/20 0.48
CYP1A2 P05177 3/20 0.48

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
SCHEMBL9837120 0.81 KDM4E (0.44) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL4896376 0.79 MAPK1 (0.43) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL9836815 0.79 KMT2A (0.43) ALDH1A1SMN1; SMN2MAPTHPGDHSD17B10
SCHEMBL6491371 0.79 MAP3K8 (0.50) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL483292 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL11666684 0.74 ALDH1A1 (0.64) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL976420 0.73 ALDH1A1 (0.72) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A
SCHEMBL29366579 0.73 KMT2A (0.63) ALDH1A1SMN1; SMN2MAPTRAB9AGAA
SCHEMBL393627 0.73 KMT2A (0.63) ALDH1A1SMN1; SMN2MAPTRAB9AGAA
SCHEMBL10517750 0.73 MAPT (0.50) ALDH1A1SMN1; SMN2MAPTHPGDRAB9A

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-0269295-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1991-06-26 EP disclosed
US-4877793-A CARDIOVASCULAR DISORDERS THE BOOTS COMPANY, PLC (GB) 1989-10-31 US disclosed