SCHEMBL9764609

SCHEMBL9764609

O=Cc1c2ncccc2nn1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ IDO1 P14902 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.41
▸ MAOB P27338 1/20 0.38
▸ NTRK1 P04629 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ MPO P05164 1/20 0.36
▸ ERN1 O75460 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ ADORA3 P0DMS8 2/20 0.35
▸ PAX8 Q06710 1/20 0.34

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
SCHEMBL5752394 0.77 MPO (0.51) KDM4ENPC1RAB9AKDM4CHTT
SCHEMBL17112234 0.76 SMN1; SMN2 (0.42) KDM4EMEN1NPC1RAB9AKMT2A
Quinoline SCHEMBL28265466 0.66 ALDH1A1 (0.49) KDM4ENPC1RAB9AHTTHIF1A
SCHEMBL13789733 0.64 MAOB (0.43) KDM4EMEN1NPC1HSP90AA1IDO1
SCHEMBL23726655 0.64 KDM4E (0.37) KDM4EMEN1NPC1HSP90AA1IDO1
SCHEMBL16896248 0.64 KDM4C (0.49) KDM4ENPC1RAB9AKDM4CHTT
SCHEMBL15245369 0.62 NPC1 (0.46) KDM4EMEN1NPC1HSP90AA1IDO1
SCHEMBL11851657 0.61 KDM4E (0.50) KDM4ENPC1IDO1RAB9AL3MBTL1
SCHEMBL9168570 0.61 NPSR1 (0.56) KDM4ENPSR1L3MBTL1HTTLMNA
SCHEMBL700910 0.60 KDM4E (1.00) KDM4EMEN1NPC1HSP90AA1IDO1

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-4994453-A Treating asthma, diabetes, obesity, immunosuppression FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-02-19 — — US disclosed
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