SCHEMBL31451430

SCHEMBL31451430

Cc1c(N)cc(F)cc1-c1nc2c(F)cc(Br)cc2s1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ ILK Q13418 5/20 0.36
▸ NSD1 Q96L73 1/20 0.35
▸ F2RL3 Q96RI0 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ APP P05067 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ HPGD P15428 1/20 0.31

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
SCHEMBL31451689 0.81 ILK (0.52) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451619 0.80 MEN1 (0.34) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451683 0.80 APP (0.56) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451601 0.72 KDM4E (0.61) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL2314657 0.71 NSD1 (0.64) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL12109842 0.71 ALDH1A1 (0.39) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451649 0.70 WDR5 (0.35) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451494 0.69 APP (0.56) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL31451616 0.69 GAA (0.47) ALDH1A1RAB9AMEN1KMT2AMAPT
SCHEMBL17856111 0.69 ALDH1A1 (0.44) ALDH1A1RAB9AMEN1KMT2AMAPT

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
WO-2025054187-A1 TGR5 ANTAGONISTS AND METHODS OF USE Sanford Burnham Prebys Medical Discovery Institute (US) 2025-03-13 — — WO disclosed
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