SCHEMBL30576758

SCHEMBL30576758

O=C(Nc1nc2ccccc2s1)c1ccc(C2=CCNCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 7/20 0.65
▸ NPC1 O15118 7/20 0.60
▸ RAB9A P51151 7/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ KDM4E B2RXH2 5/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ MMP13 P45452 1/20 0.55
▸ TOP1 P11387 2/20 0.54
▸ LMNA P02545 1/20 0.53
▸ LRRK2 Q5S007 1/20 0.53
▸ CASP3 P42574 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP7 Q9BQF6 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ MAPT P10636 1/20 0.52

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
SCHEMBL26606541 1.00 SCD (0.65) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL6687151 0.80 SCD (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL30576784 0.79 NPC1 (0.62) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL26606468 0.79 NPC1 (0.62) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL3053529 0.77 NPC1 (1.00) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16562172 0.76 NPC1 (0.86) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL13328295 0.76 LRRK2 (0.78) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL16562119 0.75 NPC1 (0.80) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4910843 0.75 NPC1 (0.78) SCDNPC1RAB9AMEN1KMT2A
SCHEMBL4915099 0.75 NPC1 (1.00) SCDNPC1RAB9AMEN1KMT2A

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
CN-122079899-A Application of pharmaceutical composition in preparation of medicines for preventing or treating diseases related to Sirttail 7 protein — 2026-05-26 — — CN disclosed
CN-116829542-A Benzothiazole and benzimidazole derivatives, pharmaceutically acceptable salts, preparation method thereof and pharmaceutical composition containing same as active ingredient 韩国化学研究院 2023-09-29 — — CN disclosed
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