SCHEMBL8866632

SCHEMBL8866632

Cc1nc(-c2cccc(C(=O)Nc3ccc(Cl)cc3)c2)sc1C(=O)O

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.76
KMT2A Q03164 4/20 0.61
MEN1 O00255 3/20 0.61
CYP1A2 P05177 1/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2D6 P10635 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
SMN1; SMN2 Q16637 5/20 0.60
RAB9A P51151 3/20 0.60
POLB P06746 2/20 0.60
KDM4E B2RXH2 2/20 0.60
NPC1 O15118 2/20 0.60
MAPT P10636 3/20 0.59
ALDH1A1 P00352 4/20 0.53
BTK Q06187 1/20 0.52
NR1H4 Q96RI1 2/20 0.51
GAA P10253 2/20 0.50
TP53 P04637 1/20 0.48
HPGD P15428 2/20 0.48

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
SCHEMBL8867946 0.87 MAPT (0.58) XDHKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8866993 0.86 XDH (1.00) XDHKMT2AMEN1CYP1A2CYP3A4
SCHEMBL8867366 0.81 SMN1; SMN2 (0.72) XDHKMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL23794689 0.80 KMT2A (0.80) XDHKMT2ASMN1; SMN2RAB9APOLB
SCHEMBL3615192 0.79 SMN1; SMN2 (0.68) XDHKMT2ACYP1A2CYP2C19SMN1; SMN2
SCHEMBL8866740 0.78 SMN1; SMN2 (0.71) XDHKMT2AMEN1CYP1A2CYP2C19
SCHEMBL2069278 0.77 RAB9A (1.00) XDHKMT2AMEN1CYP1A2CYP3A4
SCHEMBL4200739 0.75 MEN1 (0.69) KMT2AMEN1CYP1A2CYP3A4CYP2C19
SCHEMBL3434172 0.74 SMN1; SMN2 (0.74) XDHKMT2AMEN1CYP1A2CYP2C19
SCHEMBL8867692 0.73 XDH (0.74) XDHKMT2AMEN1CYP1A2CYP3A4

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-5614520-A 2-arylthiazole derivatives and pharmaceutical composition thereof TEIJIN LIMITED (JP) 1997-03-25 US disclosed
EP-0513379-B1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 1996-09-11 EP disclosed
EP-0513379-A1 2-ARYLTHIAZOLE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1992-11-19 EP disclosed