SCHEMBL30591798

SCHEMBL30591798

O=C(c1ccc(C(F)(F)F)cc1)c1cc[nH]n1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.51
▸ CES2 O00748 2/20 0.48
▸ CES1 P23141 2/20 0.48
▸ GSK3B P49841 2/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ EPHX2 P34913 1/20 0.42
▸ CNR2 P34972 1/20 0.41
▸ CYP2C8 P10632 1/20 0.41
▸ IGFBP3 P17936 1/20 0.41
▸ VNN1 O95497 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ TLR7 Q9NYK1 1/20 0.40
▸ GRM4 Q14833 1/20 0.40
▸ BCHE P06276 1/20 0.39

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
SCHEMBL29543448 0.79 KMT2A (0.48) RAB9A
SCHEMBL31275168 0.78 KIF11 (0.47) CES2CES1GRM4
SCHEMBL25369533 0.77 CES2 (0.55) SRD5A2CES2CNR2
SCHEMBL27780305 0.77 NOTUM (0.35) SRD5A2CES2CNR2VNN1NPC1
SCHEMBL135361 0.77 KMT2A (0.50) SRD5A2CES2CES1CNR2NPC1
SCHEMBL6002659 0.76 NPC1 (0.54) EPHX2NPC1RAB9A
SCHEMBL27717744 0.75 SRD5A2 (0.50) SRD5A2CES2CES1GSK3BPTPN1
SCHEMBL1273234 0.75 — —
SCHEMBL648641 0.75 SRD5A2 (0.83) SRD5A2CES2CES1GSK3BPTPN1
Hydrochloric Acid SCHEMBL27733522 0.73 SRD5A2 (0.79) SRD5A2CES2CES1GSK3BPTPN1

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-4496570-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS The Scripps Research Institute (US) 2025-01-29 — — EP disclosed
WO-2023183768-A2 SMALL MOLECULE INHIBITORS OF TEA DOMAIN FAMILY MEMBERS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-09-28 — — WO disclosed
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