SCHEMBL30989557

SCHEMBL30989557

O=C(CBr)c1cc(C(F)(F)F)nc(C(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 10/20 0.52
▸ PTPN1 P18031 6/20 0.52
▸ CES2 O00748 1/20 0.36
▸ GPBAR1 Q8TDU6 2/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ P2RX7 Q99572 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
SCHEMBL30989531 0.84 MMP1 (0.40) CES2GPBAR1CNR2P2RX7ALDH1A1
SCHEMBL30989528 0.84 MMP1 (0.40) CES2GPBAR1CNR2P2RX7ALDH1A1
SCHEMBL630414 0.80 PTPN1 (0.66) GSK3BPTPN1CES2
SCHEMBL30016275 0.79 PTPN1 (0.50) GSK3BPTPN1
SCHEMBL16056650 0.79 PTPN1 (0.50) GSK3BPTPN1
SCHEMBL12098246 0.75 ALOX15 (0.48) CES2
SCHEMBL27250198 0.75 HSP90AA1 (0.43) GPBAR1ALDH1A1
SCHEMBL766117 0.74 NOTUM (0.58) GSK3BPTPN1CES2GPBAR1
SCHEMBL865889 0.74 PTPN1 (0.58) GSK3BPTPN1CES2
SCHEMBL30238177 0.74 CDK8 (0.43) CES2GPBAR1P2RX7ALDH1A1

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-4634187-A1 INDACENE AND AZAINDACENE COMPOUNDS AND HIGHER HOMOLOGUES AND THE USE THEREOF Credoxys GmbH (DE) 2025-10-22 — — EP disclosed
WO-2024094566-A1 INDACENE AND AZAINDACENE COMPOUNDS AND HIGHER HOMOLOGUES AND THE USE THEREOF Credoxys GmbH (DE) 2024-05-10 — — WO disclosed
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