SCHEMBL9756834

SCHEMBL9756834

O=C(C=Cc1ccc(Br)s1)Nc1nnn[nH]1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.39
MAPT P10636 8/20 0.37
KMT2A Q03164 8/20 0.37
NPC1 O15118 8/20 0.37
LMNA P02545 7/20 0.37
MEN1 O00255 7/20 0.37
HTT P42858 4/20 0.37
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 10/20 0.36
SMN1; SMN2 Q16637 8/20 0.36
XBP1 P17861 1/20 0.36
TLR9 Q9NR96 1/20 0.36
KDM4E B2RXH2 2/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
MITF O75030 2/20 0.34
PAX8 Q06710 1/20 0.34
TP53 P04637 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
SCHEMBL9756846 0.85 NPC1 (0.42) MAPTKMT2ANPC1LMNAMEN1
SCHEMBL9756826 0.78 RAB9A (0.60) MAPTKMT2ANPC1LMNAMEN1
SCHEMBL9756894 0.75 TAS1R3 (0.45) EGFRMAPTKMT2ANPC1LMNA
SCHEMBL9756976 0.74 JUN (0.49) EGFRMAPTKMT2ANPC1LMNA
SCHEMBL9756853 0.72 KMT2A (0.46) MAPTKMT2ANPC1LMNAMEN1
SCHEMBL19003250 0.70 MAPT (0.51) EGFRMAPTKMT2ANPC1LMNA
SCHEMBL9756888 0.70 NAMPT (0.55) MAPTNPC1RAB9AKDM4ENFKB1
SCHEMBL9756998 0.70 KMT2A (0.40) KMT2ANPC1LMNAMEN1HTT
SCHEMBL9756980 0.70 NPC1 (0.58) MAPTKMT2ANPC1LMNAMEN1
SCHEMBL12892199 0.69 PYGL (0.53) MAPTKMT2ANPC1LMNAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US 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