SCHEMBL11300182

SCHEMBL11300182

CCOc1ccccc1NOC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.54
▸ ALDH1A1 P00352 6/20 0.49
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPK10 P53779 1/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ ALOX12 P18054 1/20 0.47
▸ MCL1 Q07820 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ EGFR P00533 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL14715753 0.84 GAA (0.54) GAAALDH1A1TSHRKMT2ACYP2C19
SCHEMBL11521594 0.81 MAPK10 (0.62) GAAALDH1A1KMT2ACYP2C19MAPK10
SCHEMBL1639715 0.81 GAA (0.59) GAAALDH1A1TSHRKMT2ACYP2C19
SCHEMBL14106780 0.80 KMT2A (0.50) ALDH1A1TSHRKMT2ACYP2C19LMNA
SCHEMBL947416 0.79 GAA (0.58) GAAALDH1A1TSHRKMT2ACYP2C19
SCHEMBL14106778 0.79 CA1 (0.55) GAAALDH1A1TSHRKMT2AKDM4E
SCHEMBL20508889 0.78 GAA (0.56) GAAALDH1A1KMT2ACYP2C19MAPK10
SCHEMBL1994661 0.78 GAA (0.56) GAAALDH1A1TSHRKMT2ACYP2C19
SCHEMBL147183 0.78 GAA (0.56) GAAALDH1A1TSHRKMT2ACYP2C19
SCHEMBL31130141 0.78 GAA (0.56) GAAALDH1A1TSHRKMT2ACYP2C19

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0063275-A1 Mono-azo dyestuff, its preparation and use CASSELLA Aktiengesellschaft (DE) 1982-10-27 — — EP disclosed
Send feedback