SCHEMBL31593072

SCHEMBL31593072

CC(C)(C)c1ccc2nc(-c3cccc(Nc4ccc(-c5cccnn5)cc4)c3)[nH]c2c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ METAP2 P50579 1/20 0.49
▸ SCD O00767 1/20 0.46
▸ KDM4E B2RXH2 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MPL P40238 2/20 0.44
▸ TRPV1 Q8NER1 2/20 0.43
▸ DGAT1 O75907 2/20 0.42
▸ KCNH2 Q12809 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.41
▸ KDR P35968 4/20 0.41
▸ MET P08581 1/20 0.41
▸ NPBWR1 P48145 2/20 0.40
▸ PLK4 O00444 1/20 0.40

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
SCHEMBL31592989 0.90 DGAT1 (0.54) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL27039943 0.90 DGAT1 (0.54) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL31592996 0.87 NPC1 (0.51) METAP2KDM4EMEN1ALDH1A1TP53
SCHEMBL27040145 0.87 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL31592962 0.87 ALDH1A1 (0.50) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL31593118 0.85 KDM4E (0.50) METAP2KDM4EMEN1ALDH1A1TP53
SCHEMBL31592979 0.85 MEN1 (0.56) METAP2KDM4EMEN1ALDH1A1TP53
SCHEMBL31593007 0.85 MEN1 (0.47) SCDKDM4EMEN1ALDH1A1TP53
SCHEMBL31592872 0.85 MMP13 (0.48) KDM4EMEN1ALDH1A1TP53POLB
SCHEMBL31592869 0.85 CYP11B1 (0.51) METAP2KDM4EMEN1ALDH1A1TP53

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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