SCHEMBL9756894

SCHEMBL9756894

O=C(C=Cc1ccsc1)Nc1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
MAPT P10636 4/20 0.41
KMT2A Q03164 3/20 0.41
LMNA P02545 3/20 0.41
JAK2 O60674 1/20 0.39
EGFR P00533 1/20 0.39
SMN1; SMN2 Q16637 6/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
NFKB1 P19838 2/20 0.39
NFKB2 Q00653 2/20 0.39
RELA Q04206 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GUSB P08236 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.37
ALOX5 P09917 1/20 0.35
MITF O75030 1/20 0.34
HTT P42858 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
SCHEMBL9756976 0.81 JUN (0.49) MAPTKMT2ALMNAEGFRSMN1; SMN2
SCHEMBL9756826 0.76 RAB9A (0.60) MAPTKMT2ALMNASMN1; SMN2NPC1
SCHEMBL9756888 0.76 NAMPT (0.55) MAPTNPC1RAB9ANFKB1KDM4E
SCHEMBL9756846 0.75 NPC1 (0.42) MAPTKMT2ALMNASMN1; SMN2NPC1
SCHEMBL9756834 0.75 EGFR (0.39) MAPTKMT2ALMNAEGFRSMN1; SMN2
SCHEMBL12892199 0.75 PYGL (0.53) MAPTKMT2ALMNANPC1RAB9A
SCHEMBL9756850 0.74 ALDH1A1 (0.36) MAPTKMT2ALMNASMN1; SMN2NPC1
SCHEMBL10749771 0.73 HPGD (0.50) KMT2ANPC1RAB9A
SCHEMBL9756853 0.73 KMT2A (0.46) MAPTKMT2ALMNASMN1; SMN2NPC1
SCHEMBL3421846 0.73 TAS1R3 (0.47) TAS1R3TAS1R1MAPTKMT2ALMNA

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 4 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
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