SCHEMBL20008359

SCHEMBL20008359

Cc1ccc(C)c(-c2cnc(C)c(N3CCCCC3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.42
▸ SIGMAR1 Q99720 1/20 0.39
▸ MAPT P10636 7/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ MCOLN3 Q8TDD5 1/20 0.38
▸ LMNA P02545 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HTT P42858 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TP53 P04637 4/20 0.37
▸ S1PR2 O95136 1/20 0.36
▸ STAT6 P42226 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 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
SCHEMBL20009443 0.85 RAF1 (0.37) CNR2
SCHEMBL20008486 0.84 CNR2 (0.45) CNR2ALDH1A1HTTSMN1; SMN2POLB
SCHEMBL20008341 0.84 RAF1 (0.38) —
SCHEMBL20050071 0.75 CYP2A6 (0.47) MAPTALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL20008475 0.74 RAF1 (0.39) —
SCHEMBL20008237 0.73 HRH4 (0.47) CNR2
SCHEMBL20008313 0.73 ROCK2 (0.41) CNR2MAPTALDH1A1MEN1KMT2A
SCHEMBL16727174 0.71 SLC18A3 (0.55) MAPTALDH1A1MCOLN3LMNAHTT
SCHEMBL20008778 0.70 RAF1 (0.37) —
SCHEMBL1442527 0.70 CNR2 (0.43) CNR2MAPTALDH1A1KDM4EHTT

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-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 — — EP disclosed
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