SCHEMBL31593015

SCHEMBL31593015

c1ccc(-c2ccc(Nc3cccc(-c4nc5cnccc5[nH]4)c3)nc2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.45
▸ SMN1; SMN2 Q16637 6/20 0.45
▸ NPC1 O15118 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ METAP2 P50579 3/20 0.45
▸ METAP1 P53582 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ MMP2 P08253 2/20 0.43
▸ MMP9 P14780 2/20 0.43
▸ MMP8 P22894 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ COMT P21964 1/20 0.43
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ CHEK2 O96017 1/20 0.41
▸ SYK P43405 1/20 0.41
▸ SCD O00767 1/20 0.41
▸ MAPT P10636 5/20 0.41

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
SCHEMBL31592924 0.91 MMP2 (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592811 0.89 METAP2 (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27039954 0.89 METAP2 (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31593006 0.88 KDM4E (0.43) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592779 0.87 CBFB (0.45) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592935 0.86 CHEK2 (0.42) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31593030 0.85 CBFB (0.58) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27040196 0.85 CBFB (0.58) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592794 0.85 CBFB (0.57) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592848 0.85 SCD (0.43) KDM4ESMN1; SMN2NPC1RAB9AMETAP2

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
Send feedback