SCHEMBL9756984

SCHEMBL9756984

C=C(C(=O)Nc1nnn[nH]1)c1ccncc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 2/20 0.37
NAPRT Q6XQN6 1/20 0.35
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C19 P33261 2/20 0.35
MPO P05164 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
CYP2A6 P11509 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PRKAB2 O43741 1/20 0.33
PRKAG1 P54619 1/20 0.33
PRKAA2 P54646 1/20 0.33
PRKAA1 Q13131 1/20 0.33
PRKAG3 Q9UGI9 1/20 0.33
PRKAG2 Q9UGJ0 1/20 0.33
PRKAB1 Q9Y478 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
SCHEMBL9756889 0.83 LMNA (0.42) GAAALDH1A1L3MBTL1PRKAB2PRKAG1
SCHEMBL13715916 0.81 GAA (0.55) GAAALDH1A1KDM4ECYP1A2CYP3A4
SCHEMBL9756896 0.80 CES2 (0.38) HPGDRAB9A
SCHEMBL9756827 0.77 ALDH1A1 (0.41) GAAALDH1A1KDM4EHTTMAPK1
SCHEMBL9756855 0.75 CES2 (0.41) ALDH1A1NAPRTHTTL3MBTL1MAPK1
SCHEMBL9756986 0.74 RAB9A (0.39) GAAALDH1A1KDM4ECYP1A2SMN1; SMN2
SCHEMBL1123809 0.74 RXFP1 (0.35) GAAALDH1A1KDM4EHTTL3MBTL1
SCHEMBL9756998 0.73 KMT2A (0.40) GAAALDH1A1KDM4EHTTL3MBTL1
SCHEMBL13715636 0.73 MDM2 (0.63) ALDH1A1KDM4EHTTL3MBTL1MDM2
SCHEMBL12892192 0.72 KDM4E (0.46) GAAKDM4EHTTL3MBTL1SMN1; SMN2

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
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