SCHEMBL31592949

SCHEMBL31592949

c1ccc(-c2cnc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nc2)nc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 9/20 0.53
▸ SMN1; SMN2 Q16637 7/20 0.53
▸ NPC1 O15118 5/20 0.53
▸ RAB9A P51151 5/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ HTT P42858 1/20 0.53
▸ METAP2 P50579 3/20 0.53
▸ LMNA P02545 2/20 0.53
▸ METAP1 P53582 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ MTOR P42345 1/20 0.53
▸ MMP2 P08253 3/20 0.52
▸ MMP9 P14780 3/20 0.52
▸ MMP8 P22894 3/20 0.52
▸ MMP13 P45452 2/20 0.52
▸ COMT P21964 1/20 0.52
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ MAPT P10636 4/20 0.50

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
SCHEMBL27039994 1.00 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL27039954 0.91 METAP2 (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592811 0.91 METAP2 (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592897 0.89 CBFB (0.61) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL31592889 0.89 KDM4E (0.55) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592855 0.89 METAP2 (0.60) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592832 0.88 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31593011 0.88 KDM4E (0.53) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592807 0.88 KDR (0.52) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL31592820 0.87 SYK (0.47) KDM4ESMN1; SMN2NPC1RAB9AALDH1A1

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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