SCHEMBL9531103

SCHEMBL9531103

Clc1cccc(C(=NOCCc2ccccc2)c2cccnc2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 9/20 0.50
TBXA2R P21731 8/20 0.50
KMT2A Q03164 3/20 0.49
NPC1 O15118 2/20 0.49
MEN1 O00255 2/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
TAAR1 Q96RJ0 1/20 0.45
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.43
USP2 O75604 1/20 0.43
ALOX15 P16050 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL9532300 0.89 TBXAS1 (0.57) TBXAS1TBXA2RKMT2ANPC1MEN1
SCHEMBL9528581 0.88 TBXAS1 (0.59) TBXAS1TBXA2RKMT2ANPC1MEN1
SCHEMBL9528066 0.86 TBXAS1 (0.53) TBXAS1TBXA2RKMT2AMEN1RAB9A
SCHEMBL9529953 0.86 ALDH1A1 (0.60) TBXAS1TBXA2RKMT2ANPC1MEN1
SCHEMBL9528365 0.84 TBXAS1 (0.58) TBXAS1TBXA2RKMT2AMEN1TAAR1
SCHEMBL9528734 0.83 TBXA2R (0.72) TBXAS1TBXA2R
SCHEMBL9528023 0.82 SMN1; SMN2 (0.48) TBXAS1TBXA2RKMT2ANPC1MEN1
SCHEMBL9528993 0.81 CYP19A1 (0.53) TBXAS1TBXA2RKMT2AMEN1SMN1; SMN2
SCHEMBL9529178 0.81 ALDH1A1 (0.60) TBXAS1TBXA2RKMT2ANPC1MEN1
SCHEMBL9527554 0.81 ALDH1A1 (0.61) TBXAS1TBXA2RKMT2AMEN1TAAR1

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
EP-0366006-B1 PYRIDYLKETOXIME ETHER COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING IT KAKEN PHARMACEUTICAL CO., LTD. (JP) 1993-09-29 EP disclosed
US-4971985-A ANTIISCHEMIC AGENTS, CARDIOVASCULAR DISORDERS KAKEN PHARMACEUTICAL CO., LTD. (JP) 1990-11-20 US disclosed