SCHEMBL21417007

SCHEMBL21417007

C=C(Nc1ccc(C(C)(C)F)cc1)c1ccc(C)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ TRPV1 Q8NER1 6/20 0.40
▸ MAPT P10636 3/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ KCNJ6 P48051 1/20 0.37
▸ KCNJ3 P48549 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC8 Q9BY41 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36

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
SCHEMBL21416769 0.79 NPSR1 (0.43) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL20779328 0.76 KMT2A (0.42) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL21991721 0.73 RAB9A (0.44) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL23592890 0.71 ALDH1A1 (0.40) KMT2AMAPTHDAC1HDAC7HDAC8
SCHEMBL25721410 0.70 HDAC6 (0.67) NPC1RAB9AKMT2ATRPV1MAPT
SCHEMBL22746195 0.70 NPC1 (0.63) NPC1RAB9AKMT2ATRPV1MAPT
SCHEMBL21588673 0.70 HDAC6 (0.67) NPC1RAB9AKMT2ATRPV1MAPT
SCHEMBL24137699 0.70 NPC1 (0.42) NPC1RAB9AKMT2AMAPTSMN1; SMN2
SCHEMBL22746196 0.70 NPC1 (0.58) NPC1RAB9AKMT2ATRPV1MAPT
SCHEMBL21021669 0.69 MAPT (0.45) NPC1RAB9AKMT2ATRPV1MAPT

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
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP disclosed
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