SCHEMBL31408907

SCHEMBL31408907

OB(O)Oc1ccccc1-c1ccnnn1

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL30702995 0.78 RAB9A (0.48) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL148972 0.78 RAB9A (0.48) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL16731967 0.76 ALDH1A1 (0.32) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL31408927 0.75 ENPP2 (0.33)
SCHEMBL12489287 0.74 PDE5A (0.43) HPGDNPC1
SCHEMBL31657742 0.74 ENPP2 (0.39) TP53TSHR
Phenol SCHEMBL2225931 0.74 VCP (0.43) HPGDRAB9ASMN1; SMN2NPC1TP53
SCHEMBL19023807 0.72 BRD4 (0.55)
SCHEMBL7913045 0.72 NPC1 (0.44) HPGDRAB9ASMN1; SMN2NPC1TSHR
SCHEMBL45025 0.72 IDO1 (0.43) HPGDRAB9ASMN1; SMN2TP53TSHR

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
CN-119505614-A Antioxidant vamp leather shoes and production process thereof 赛纳(苏州)安防用品有限公司 2025-02-25 CN claimed
CN-119505614-A Antioxidant vamp leather shoes and production process thereof 赛纳(苏州)安防用品有限公司 2025-02-25 CN disclosed