SCHEMBL11290448

SCHEMBL11290448

Cc1ncsc1C(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.57
CA2 P00918 2/20 0.57
CA9 Q16790 2/20 0.57
NAMPT P43490 1/20 0.53
PKM P14618 2/20 0.53
KDM4E B2RXH2 2/20 0.53
KMT2A Q03164 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
PRNP P04156 1/20 0.49
PPARG P37231 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
MEN1 O00255 3/20 0.49
DHODH Q02127 1/20 0.48
EDNRB P24530 1/20 0.47
EDNRA P25101 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 4/20 0.46

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
SCHEMBL1964733 0.81 NAMPT (0.72) NAMPTPKMKDM4EKMT2AMEN1
SCHEMBL6602234 0.78 USP2 (0.69) CA12CA2CA9PKMKMT2A
SCHEMBL17538515 0.75 CYP1A2 (0.55) CA12CA2CA9PKMKDM4E
Benzene SCHEMBL28205648 0.73 KDM4E (0.96) NAMPTPKMKDM4EKMT2ANPC1
SCHEMBL8252530 0.72 ALDH1A1 (0.72) CA12CA2CA9PKMKDM4E
SCHEMBL3048657 0.71 SMN1; SMN2 (0.59) NAMPTPKMKDM4ESMN1; SMN2ALDH1A1
SCHEMBL2058331 0.71 ALDH1A1 (0.68) CA12CA2CA9PKMKMT2A
SCHEMBL13847546 0.71 KMT2A (0.67) NAMPTPKMKDM4EKMT2ANPC1
SCHEMBL211260 0.71 KMT2A (0.61) CA12CA2CA9PKMKDM4E
SCHEMBL192563 0.71

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
JP-57183768-A None JP disclosed
JP-S57183768-A 4-METHYL-5-(O-CARBOXYPHENYL)CARBAMOYLTHIAZOLE DERIVATIVE AND ITS PREPARATION KANTO ISHI PHARMA CO LTD 1982-11-12 JP disclosed