SCHEMBL17898604

SCHEMBL17898604

Cc1cc(N)cc(OC=O)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 2/20 0.33
TEAD4 Q15561 1/20 0.30
ERN1 O75460 1/20 0.30

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
SCHEMBL1190708 0.89 ALDH1A1 (0.46) ALDH1A1TSHRSMN1; SMN2CYP3A4MAPK1
SCHEMBL15358720 0.84 ALDH1A1 (0.32) ALDH1A1CYP3A4MEN1MAPTKMT2A
SCHEMBL16079851 0.84 ALDH1A1 (0.41) ALDH1A1TSHRSMN1; SMN2CYP3A4MAPK1
SCHEMBL15626625 0.84 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2CYP3A4MEN1MAPT
SCHEMBL28406606 0.82 ALDH1A1 (0.31) ALDH1A1CYP3A4MAPT
SCHEMBL23457679 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL29640516 0.77 ALDH1A1 (0.48) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL8804437 0.75 ALDH1A1 (0.48) ALDH1A1TSHRSMN1; SMN2CYP3A4MAPK1
SCHEMBL97383 0.75 ALDH1A1 (0.34) ALDH1A1TSHRCYP3A4MAPK1TDP1
SCHEMBL18623053 0.75 ALDH1A1 (0.31) ALDH1A1MAPT

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
CN-105985259-B Azobenzoic acid class compound and its preparation method and application 中国科学院化学研究所 2018-07-27 CN disclosed
US-20160193861-A1 PRINTING PLATE AND THE PREPARATION METHOD THEREOF AND A PRINTING METHOD INSTITUTE OF CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2016-07-07 US disclosed