SCHEMBL31592782

SCHEMBL31592782

c1ccc(-c2cnc(Nc3cccc(-c4nc5ccccc5[nH]4)c3)nn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.54
▸ ALDH1A1 P00352 6/20 0.54
▸ SMN1; SMN2 Q16637 6/20 0.54
▸ NPC1 O15118 5/20 0.54
▸ RAB9A P51151 5/20 0.54
▸ HPGD P15428 4/20 0.54
▸ HTT P42858 1/20 0.54
▸ MMP2 P08253 4/20 0.53
▸ MMP9 P14780 4/20 0.53
▸ MMP8 P22894 4/20 0.53
▸ MMP13 P45452 3/20 0.53
▸ COMT P21964 1/20 0.53
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ MAPT P10636 4/20 0.51
▸ POLB P06746 2/20 0.51
▸ ATR Q13535 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ RECQL P46063 1/20 0.51
▸ ATM Q13315 1/20 0.51

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
SCHEMBL31592951 0.81 MMP2 (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27040119 0.81 MMP2 (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31593037 0.81 MMP2 (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27039994 0.81 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592949 0.81 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592832 0.81 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592792 0.81 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592889 0.81 KDM4E (0.55) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592975 0.80 MMP2 (0.64) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL31592923 0.79 MAPT (0.50) KDM4EALDH1A1SMN1; SMN2NPC1RAB9A

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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