SCHEMBL9756826

SCHEMBL9756826

O=C(C=Cc1cccs1)Nc1nnn[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 12/20 0.60
NPC1 O15118 10/20 0.60
SMN1; SMN2 Q16637 10/20 0.60
ALDH1A1 P00352 6/20 0.60
KDM4E B2RXH2 4/20 0.60
MAPT P10636 5/20 0.58
LMNA P02545 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TP53 P04637 2/20 0.58
HTT P42858 2/20 0.58
PSMD14 O00487 1/20 0.58
GLA P06280 1/20 0.58
POLB P06746 2/20 0.52
HPGD P15428 1/20 0.52
GAPDH P04406 1/20 0.51
NFKB1 P19838 1/20 0.51
NFKB2 Q00653 1/20 0.51
RELA Q04206 1/20 0.51
MAPK1 P28482 1/20 0.49

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 0.78 NPC1 (0.42) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9756834 0.78 EGFR (0.39) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9756976 0.78 JUN (0.49) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9756894 0.76 TAS1R3 (0.45) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL9756853 0.76 KMT2A (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL27911751 0.74 NPC1 (0.63) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9756888 0.74 NAMPT (0.55) RAB9ANPC1KDM4EMAPTNFKB1
SCHEMBL9756980 0.74 NPC1 (0.58) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9138103 0.73 ALDH1A1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL18985299 0.73 RAB9A (0.74) RAB9ANPC1SMN1; SMN2ALDH1A1KDM4E

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 2 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