SCHEMBL9823724

SCHEMBL9823724

COc1cc(OC)cc(-c2nc(C(=O)O)cs2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
CYP1A1 P04798 1/20 0.59
CYP1B1 Q16678 1/20 0.59
KDM4E B2RXH2 3/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ACHE P22303 1/20 0.48
HPGDS O60760 1/20 0.48
HPGD P15428 1/20 0.46
LDHA P00338 1/20 0.45
TLR7 Q9NYK1 1/20 0.45
RXRA P19793 1/20 0.45
PLA2G10 O15496 1/20 0.45
ECE1 P42892 1/20 0.44

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
SCHEMBL5342437 0.85 ALDH1A1 (0.65) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL3957201 0.84 ALDH1A1 (0.69) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL4600962 0.82 ALDH1A1 (0.72) ALDH1A1KDM4EHPGDECE1
SCHEMBL15608932 0.81 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9782130 0.78 ALDH1A1 (1.00) ALDH1A1KDM4ERAB9ASMN1; SMN2HPGD
SCHEMBL1683625 0.77 ALDH1A1 (0.52) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL9823342 0.77 CYP1A1 (0.63) ALDH1A1CYP1A1CYP1B1KDM4ENPC1
SCHEMBL26319825 0.77 ALDH1A1 (0.54) ALDH1A1CYP1A1CYP1B1KDM4ENPC1
SCHEMBL9823776 0.77 CYP19A1 (0.56) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL15609162 0.76 ALDH1A1 (0.53) ALDH1A1CYP1A1CYP1B1KDM4EACHE

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
EP-0262873-B1 N-TETRAZOLYL THIAZOLECARBOXAMIDE DERIVATIVES AND THEIR USE SAWAI PHARMACEUTICAL CO., LTD. (JP) 1991-08-21 EP disclosed
US-4879295-A ANTIALLERGENS SAWAI PHARMACEUTICAL CO., LTD. (JP) 1989-11-07 US disclosed
EP-0262873-A1 N-tetrazolyl thiazolecarboxamide derivatives and their use SAWAI PHARMACEUTICAL CO., LTD. (JP) 1988-04-06 EP disclosed