SCHEMBL9756850

SCHEMBL9756850

CCc1cc(C=CC(=O)Nc2nnn[nH]2)cs1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
RAB9A P51151 8/20 0.35
NPC1 O15118 6/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 5/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 6/20 0.35
SMN1; SMN2 Q16637 6/20 0.35
MAPK1 P28482 3/20 0.35
MEN1 O00255 2/20 0.34
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
DAO P14920 1/20 0.34
TP53 P04637 2/20 0.33
NAMPT P43490 1/20 0.33
HPGD P15428 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33

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
SCHEMBL9756894 0.74 TAS1R3 (0.45) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL9756976 0.73 JUN (0.49) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL12892199 0.71 PYGL (0.53) RAB9ANPC1MAPTKMT2ALMNA
SCHEMBL9756825 0.71 DAO (0.51) ALDH1A1RAB9AMAPTKMT2ALMNA
SCHEMBL9756823 0.71 DAO (0.51) ALDH1A1RAB9AMAPTKMT2ALMNA
SCHEMBL9560160 0.70 RAB9A (0.60) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL9756888 0.69 NAMPT (0.55) RAB9ANPC1MAPTKDM4EMAPK1
SCHEMBL9756826 0.69 RAB9A (0.60) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL9756846 0.68 NPC1 (0.42) ALDH1A1RAB9ANPC1MAPTKMT2A
SCHEMBL9756847 0.68 ALDH1A1 (0.62) ALDH1A1RAB9ANPC1MAPTKMT2A

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