SCHEMBL13802104

SCHEMBL13802104

Cc1oc(-c2ccc(F)cc2)cc1C(=O)N(Cc1ccccc1)c1cccc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.48
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ NR1H4 Q96RI1 5/20 0.41
▸ PDK1 Q15118 3/20 0.40
▸ NPC1 O15118 2/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ PAX8 Q06710 1/20 0.38

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
SCHEMBL3913346 0.87 RAB9A (0.51) RAB9AKMT2AMEN1ALDH1A1PDK1
SCHEMBL13802095 0.87 ALDH1A1 (0.38) RAB9AKMT2AMEN1ALDH1A1NR1H4
SCHEMBL13802097 0.83 GPX4 (0.40) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL13802182 0.83 KMT2A (0.41) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL3906995 0.83 RAB9A (0.46) RAB9AKMT2AMEN1ALDH1A1PDK1
SCHEMBL13791108 0.83 RAB9A (0.46) RAB9AKMT2AMEN1ALDH1A1PDK1
SCHEMBL3901597 0.76 RAB9A (0.37) RAB9AKMT2AMEN1ALDH1A1PDK1
SCHEMBL3905610 0.73 ALDH1A1 (0.39) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL3913375 0.73 RAB9A (0.40) RAB9AKMT2AMEN1ALDH1A1NPC1
SCHEMBL13791085 0.70 CYP1A2 (0.39) RAB9AKMT2AMEN1ALDH1A1NPC1

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
US-7553867-B2 Furan or thiophene derivative and medicinal use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-30 — — US disclosed
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