SCHEMBL30786121

SCHEMBL30786121

COc1ccc(CSc2c(F)cccc2C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.50
USP2 O75604 1/20 0.50
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
EPHX1 P07099 1/20 0.45
KDM4E B2RXH2 3/20 0.44
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
CHRM1 P11229 1/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
LPAR1 Q92633 2/20 0.41
LPAR5 Q9H1C0 2/20 0.41
HDAC3 O15379 1/20 0.41
NCOR1 O75376 1/20 0.41
HDAC1 Q13547 1/20 0.41

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
SCHEMBL30786123 1.00 TP53 (0.50) TP53USP2FFAR1ALDH1A1SMN1; SMN2
SCHEMBL17080240 0.88 KDM4E (0.46) TP53FFAR1ALDH1A1NPC1RAB9A
SCHEMBL30786136 0.88 KDM4E (0.46) TP53FFAR1ALDH1A1NPC1RAB9A
SCHEMBL30786272 0.81 DRD4 (0.49) ALDH1A1KDM4EPOLBNPSR1TDP1
SCHEMBL9833207 0.80 HPGD (0.53) TP53USP2FFAR1ALDH1A1SMN1; SMN2
SCHEMBL30786161 0.79 FFAR1 (0.47) TP53USP2FFAR1ALDH1A1SMN1; SMN2
SCHEMBL6290570 0.78 RAB9A (0.67) TP53USP2FFAR1ALDH1A1SMN1; SMN2
SCHEMBL30786206 0.77 MAOB (0.52) TP53USP2FFAR1KDM4ECHRM1
SCHEMBL21229116 0.77 FFAR1 (0.45) TP53USP2FFAR1ALDH1A1SMN1; SMN2
SCHEMBL8208193 0.76 MEN1 (0.47) TP53ALDH1A1SMN1; SMN2RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025082316-A1 OPHTHALMIC FORMATION, AND PREPARATION METHOD THEREFOR AND USE THEREOF 苏州必扬医药科技有限公司 2025-04-24 WO disclosed
CN-119604488-A Protein tyrosine kinase inhibitor and medical application thereof 苏州必扬医药科技有限公司 2025-03-11 CN disclosed
WO-2024032584-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-02-15 WO disclosed