SCHEMBL9756896

SCHEMBL9756896

C=C(C(=O)Nc1nnn[nH]1)c1ccsc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
HDAC1 Q13547 1/20 0.37
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
DAO P14920 1/20 0.37
HPGD P15428 1/20 0.36
CASP3 P42574 2/20 0.33
SENP8 Q96LD8 2/20 0.33
SENP7 Q9BQF6 2/20 0.33
SENP6 Q9GZR1 2/20 0.33
KCNK3 O14649 1/20 0.33
KCNK9 Q9NPC2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
IKBKE Q14164 1/20 0.32
TBK1 Q9UHD2 1/20 0.32
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL10749771 0.83 HPGD (0.50) CES2CES1HDAC1LCKFYN
SCHEMBL9756984 0.80 GAA (0.38) HPGDRAB9A
SCHEMBL9756827 0.76 ALDH1A1 (0.41) CES2CES1HDAC1DAONPC1
SCHEMBL9756889 0.76 LMNA (0.42) HDAC1KCNK3NPC1RAB9A
SCHEMBL9756855 0.74 CES2 (0.41) CES2CES1HDAC1KCNK3KCNK9
SCHEMBL9756998 0.72 KMT2A (0.40) CES2CES1DAOHPGDCASP3
SCHEMBL9756986 0.70 RAB9A (0.39) CES2CES1NPC1RAB9A
SCHEMBL1123809 0.70 RXFP1 (0.35) HPGD
SCHEMBL9756894 0.69 TAS1R3 (0.45) NPC1RAB9A
SCHEMBL12892192 0.68 KDM4E (0.46) NPC1RAB9A

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