SCHEMBL31470137

SCHEMBL31470137

CCOc1nc(CO)ccc1Br

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR1 P32246 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
MBOAT4 Q96T53 12/20 0.36
NOTUM Q6P988 1/20 0.36
CDK1 P06493 1/20 0.35
CDK2 P24941 1/20 0.35
KDR P35968 1/20 0.35
S1PR3 Q99500 1/20 0.34
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL26654122 1.00 S1PR1 (0.40) S1PR1HPGDSMN1; SMN2CCR1ADORA2A
SCHEMBL1350135 0.81 MBOAT4 (0.43) S1PR1CCR1MBOAT4
SCHEMBL26653945 0.77 CNR2 (0.47) CCR1MBOAT4
SCHEMBL31470132 0.77 CNR2 (0.47) CCR1MBOAT4
SCHEMBL1841778 0.76 HPGD (0.43) S1PR1HPGDSMN1; SMN2ADORA2AADORA1
SCHEMBL9931250 0.76 HPGD (0.43) S1PR1HPGDSMN1; SMN2ADORA2AADORA1
SCHEMBL17593199 0.74 HPGD (0.42) HPGDSMN1; SMN2ADORA2AADORA1CDK1
SCHEMBL20918293 0.74 SMN1; SMN2 (0.42) HPGDSMN1; SMN2ADORA2AADORA1MBOAT4
SCHEMBL31497761 0.74 HPGD (0.39) S1PR1HPGDSMN1; SMN2ADORA2AADORA1
SCHEMBL29210856 0.74 MBOAT4 (0.49) CCR1MBOAT4

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
CN-119677738-A Compounds and uses thereof 福宏治疗公司 2025-03-21 CN disclosed