SCHEMBL29654700

SCHEMBL29654700

O=C1c2ccccc2C(=O)N1c1nc(Br)c(F)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 3/20 0.38
▸ POLB P06746 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALPL P05186 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL24525573 1.00 AR (0.38) ARPOLBHTTMEN1KMT2A
SCHEMBL29654372 0.81 CYP3A4 (0.40) ARPOLBHTTMEN1KMT2A
SCHEMBL24525255 0.81 CYP3A4 (0.40) ARPOLBHTTMEN1KMT2A
SCHEMBL31118684 0.68 MEN1 (0.43) ARMEN1KMT2AALPLALDH1A1
SCHEMBL29604734 0.68 AR (0.47) ARPOLBHTTMEN1KMT2A
SCHEMBL21988948 0.66 PIM3 (0.37) ARPOLBALPLALDH1A1FFAR4
SCHEMBL23287467 0.65 — —
SCHEMBL20243060 0.65 HTT (0.40) HTTMEN1KMT2AALDH1A1
SCHEMBL1631298 0.65 KMT2A (0.45) ARHTTMEN1KMT2AALDH1A1
SCHEMBL6683354 0.65 MEN1 (0.46) POLBHTTMEN1KMT2AALDH1A1

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
WO-2025125665-A1 FURTHER SUBSTITUTED IMIDAZOLES AS INHIBITORS OF NAV1.8 Grünenthal GmbH (DE) 2025-06-19 — — WO disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 — — WO disclosed
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