SCHEMBL9582368

SCHEMBL9582368

C1=Cc2cc3ccc([nH]3)c(-c3ccccn3)c3nc(c(-c4ccccn4)c4ccc(cc1n2)[nH]4)C=C3

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.57
▸ STAT1 P42224 1/20 0.57
▸ NPC1 O15118 6/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ PKM P14618 5/20 0.40
▸ LMNA P02545 3/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CBFB Q13951 10/20 0.40
▸ METAP2 P50579 7/20 0.40
▸ METAP1 P53582 6/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MTOR P42345 1/20 0.40
▸ TP53 P04637 2/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ GAA P10253 1/20 0.38

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
SCHEMBL460724 0.96 STAT3 (0.59) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL3522520 0.89 STAT3 (0.47) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL6009229 0.87 STAT3 (0.45) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL29822398 0.83 KDM4E (0.46) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL432185 0.83 KDM4E (0.46) NPC1RAB9ASMN1; SMN2PKMLMNA
Acetoacetic Acid SCHEMBL9748613 0.82 STAT3 (0.48) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL9582382 0.82 NPC1 (0.44) STAT3STAT1NPC1RAB9ASMN1; SMN2
SCHEMBL599851 0.82 KDM4E (0.45) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL9418754 0.82 KDM4E (0.45) NPC1RAB9ASMN1; SMN2PKMLMNA
SCHEMBL29560659 0.82 KDM4E (0.45) NPC1RAB9ASMN1; SMN2PKMLMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236914-A Antitumor agents, viricides CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 1993-08-17 — — US disclosed
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