SCHEMBL31592813

SCHEMBL31592813

FC(F)(F)Oc1cc2nc(-c3cccc(Nc4ccc(-c5ccccc5)nn4)c3)[nH]c2cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ EGLN1 Q9GZT9 1/20 0.39
▸ NR2E3 Q9Y5X4 1/20 0.38
▸ KDM4E B2RXH2 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ S1PR2 O95136 1/20 0.38
▸ TP53 P04637 3/20 0.38
▸ KIT P10721 2/20 0.36
▸ NPBWR1 P48145 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
SCHEMBL31592911 0.87 NR2E3 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27040102 0.87 NR2E3 (0.44) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592876 0.86 MEN1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592786 0.84 RUNX1 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27039905 0.84 RUNX1 (0.51) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592780 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592960 0.79 NPBWR1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL27040749 0.79 NPBWR1 (0.61) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592847 0.79 MEN1 (0.41) ALDH1A1MEN1KMT2ANPC1RAB9A
SCHEMBL31592833 0.79 KIT (0.43) ALDH1A1NPC1RAB9AEGLN1KDM4E

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-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP claimed
EP-4559908-A1 HETEROARYL DERIVATIVE COMPOUND AND USE THEREOF S2CBio Inc. (KR) 2025-05-28 — — EP disclosed
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