SCHEMBL30702995

SCHEMBL30702995

COc1ccccc1-c1ccnnn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
HPGD P15428 4/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
METAP2 P50579 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 3/20 0.44
CNR2 P34972 1/20 0.44
CYP19A1 P11511 1/20 0.44
HSP90AA1 P07900 2/20 0.44
MAPT P10636 4/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
HSD17B10 Q99714 1/20 0.43
APP P05067 1/20 0.43
HSP90AB1 P08238 1/20 0.43
KMT2A Q03164 2/20 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
SCHEMBL148972 1.00 RAB9A (0.48) RAB9AHPGDSMN1; SMN2METAP2NPC1
Phenol SCHEMBL2225931 0.91 VCP (0.43) RAB9AHPGDSMN1; SMN2METAP2NPC1
SCHEMBL12489287 0.81 PDE5A (0.43) HPGDNPC1ALDH1A1MAPTKMT2A
SCHEMBL8359479 0.81 IDO1 (0.43) RAB9AHPGDSMN1; SMN2ALDH1A1HSP90AA1
SCHEMBL16731967 0.80 ALDH1A1 (0.32) RAB9AHPGDSMN1; SMN2NPC1TP53
SCHEMBL2752443 0.80 METAP2 (0.49) RAB9AHPGDSMN1; SMN2METAP2NPC1
SCHEMBL19133342 0.80 HPGD (0.39) RAB9AHPGDSMN1; SMN2NPC1TP53
SCHEMBL6323960 0.80 MEN1 (0.40) RAB9AHPGDSMN1; SMN2NPC1TP53
SCHEMBL693460 0.79 CNR1 (0.42) TP53TSHRALDH1A1CNR2MAPT
SCHEMBL31408907 0.78 HPGD (0.31) RAB9AHPGDSMN1; SMN2NPC1TP53

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-117083072-A Cosmetic composition 奇华顿股份有限公司 2023-11-17 CN disclosed