SCHEMBL31592876

SCHEMBL31592876

FC(F)(F)c1cc2nc(-c3cccc(Nc4ccc(-c5ccccc5)nn4)c3)[nH]c2cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.41
▸ ALDH1A1 P00352 5/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ NR2E3 Q9Y5X4 1/20 0.40
▸ NPBWR1 P48145 1/20 0.39
▸ DGAT1 O75907 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ CTSC P53634 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ HPGD P15428 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ GLA P06280 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ TP53 P04637 4/20 0.37

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 0.89 NR2E3 (0.44) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL27040102 0.89 NR2E3 (0.44) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592847 0.89 MEN1 (0.41) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592813 0.86 ALDH1A1 (0.39) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL27040749 0.83 NPBWR1 (0.61) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592960 0.83 NPBWR1 (0.61) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592780 0.82 ALDH1A1 (0.58) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592951 0.81 MMP2 (0.55) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL27040119 0.81 MMP2 (0.55) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL31592954 0.80 MEN1 (0.46) MEN1ALDH1A1KMT2ANPC1RAB9A

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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