SCHEMBL9756903

SCHEMBL9756903

C=C(C(=O)Nc1nnn[nH]1)c1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 11/20 0.44
SMN1; SMN2 Q16637 8/20 0.44
NFKB1 P19838 4/20 0.44
NFKB2 Q00653 4/20 0.44
RELA Q04206 4/20 0.44
HDAC8 Q9BY41 1/20 0.43
MGAM O43451 1/20 0.43
NPC1 O15118 9/20 0.43
ALDH1A1 P00352 4/20 0.43
TP53 P04637 3/20 0.43
KDM4E B2RXH2 2/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 6/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
CNR2 P34972 1/20 0.40
POLB P06746 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL11495341 0.84 RAB9A (0.58) RAB9ASMN1; SMN2NFKB1NFKB2RELA
SCHEMBL9756855 0.79 CES2 (0.41) RAB9ASMN1; SMN2HDAC8NPC1ALDH1A1
SCHEMBL9756856 0.74 PTPN1 (0.40) SMN1; SMN2HDAC8ALDH1A1MEN1KMT2A
SCHEMBL9756827 0.73 ALDH1A1 (0.41) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9756899 0.72 HDAC6 (0.60) RAB9ASMN1; SMN2HDAC8NPC1ALDH1A1
SCHEMBL9756984 0.72 GAA (0.38) RAB9ASMN1; SMN2ALDH1A1TP53KDM4E
SCHEMBL9756986 0.70 RAB9A (0.39) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL13715720 0.70 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1ALDH1A1KDM4E
SCHEMBL9756889 0.70 LMNA (0.42) RAB9ASMN1; SMN2NPC1ALDH1A1TP53
SCHEMBL4021547 0.70 MGAM (0.67) RAB9ASMN1; SMN2NFKB1NFKB2RELA

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