SCHEMBL12686296

SCHEMBL12686296

N#Cc1ccc(CNC(=O)N2CCC(c3ccccc3)C2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.55
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ MAPT P10636 3/20 0.55
▸ STAT1 P42224 1/20 0.55
▸ TP53 P04637 3/20 0.54
▸ USP30 Q70CQ3 1/20 0.54
▸ PDE4B Q07343 1/20 0.52
▸ ALDH1A1 P00352 3/20 0.51
▸ POLB P06746 1/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ NFKB1 P19838 2/20 0.49
▸ NFKB2 Q00653 2/20 0.49
▸ RELA Q04206 2/20 0.49
▸ PRMT5 O14744 4/20 0.48
▸ WDR77 Q9BQA1 4/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48

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
SCHEMBL23021430 0.83 RAB9A (0.61) RAB9ASMN1; SMN2NPC1MAPTSTAT1
SCHEMBL12685865 0.81 MEN1 (0.79) SMN1; SMN2ALDH1A1POLBNPSR1MEN1
SCHEMBL23021469 0.80 RAB9A (0.58) RAB9ASMN1; SMN2NPC1MAPTSTAT1
SCHEMBL28363668 0.77 CHRM4 (0.61) RAB9ASMN1; SMN2NPC1MAPTTP53
SCHEMBL14112120 0.77 HRH3 (0.59) RAB9ASMN1; SMN2NPC1MAPTSTAT1
SCHEMBL1669460 0.76 KDM4E (0.55) TP53NPSR1MEN1KMT2AHRH3
SCHEMBL13873675 0.76 CYP2C9 (0.60) RAB9ASMN1; SMN2NPC1MAPTSTAT1
SCHEMBL16178752 0.75 MLNR (0.48) ALDH1A1MEN1KMT2A
SCHEMBL12685798 0.75 FAAH (0.72) RAB9AMAPTALDH1A1KMT2ALMNA
SCHEMBL19405263 0.75 PDE4B (0.57) RAB9ASMN1; SMN2NPC1USP30PDE4B

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
WO-2012101453-A1 PROTEASE ACTIVATED RECEPTOR 2 (PAR2) ANTAGONISTS PROXIMAGEN LTD. (GB) 2012-08-02 — — WO disclosed
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