SCHEMBL9756846

SCHEMBL9756846

Cc1ccc(C=CC(=O)Nc2nnn[nH]2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.42
MAPT P10636 9/20 0.42
KMT2A Q03164 8/20 0.42
MEN1 O00255 7/20 0.42
LMNA P02545 6/20 0.42
HTT P42858 3/20 0.42
RAB9A P51151 12/20 0.40
SMN1; SMN2 Q16637 11/20 0.40
XBP1 P17861 1/20 0.40
TLR9 Q9NR96 1/20 0.40
TP53 P04637 2/20 0.39
MITF O75030 2/20 0.39
PAX8 Q06710 1/20 0.39
NAMPT P43490 1/20 0.38
ALDH1A1 P00352 4/20 0.37
MAPK1 P28482 1/20 0.37
RECQL P46063 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL9756834 0.85 EGFR (0.39) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756826 0.78 RAB9A (0.60) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756894 0.75 TAS1R3 (0.45) NPC1MAPTKMT2ALMNAHTT
SCHEMBL9756847 0.74 ALDH1A1 (0.62) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756976 0.74 JUN (0.49) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756853 0.72 KMT2A (0.46) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756980 0.70 NPC1 (0.58) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756888 0.70 NAMPT (0.55) NPC1MAPTRAB9ANAMPTMAPK1
SCHEMBL12892199 0.69 PYGL (0.53) NPC1MAPTKMT2AMEN1LMNA
SCHEMBL9756988 0.69 MAPT (0.51) NPC1MAPTKMT2AMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US claimed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP claimed
JP-2268181-A None JP disclosed
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
JP-H02268181-A TETRAZOLE AMIDE DERIVATIVE OF HETEROCYCLIC ALKENYL ACID AND ITS USE AS ANTIALLERGIC SUBSTANCE VALEAS SPA 1990-11-01 JP disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed