SCHEMBL9770422

SCHEMBL9770422

O=C(Cl)C(Br)Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
GAA P10253 1/20 0.45
CES1 P23141 2/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CES2 O00748 1/20 0.45
LMNA P02545 1/20 0.45
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYOC Q99972 1/20 0.44
HTR2A P28223 1/20 0.44
BCL9 O00512 1/20 0.43
CTNNB1 P35222 1/20 0.43
SRD5A2 P31213 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
SCHEMBL9722713 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770548 0.80 LMNA (0.58) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770360 0.80 ALDH1A1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL11513529 0.80 MAPT (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9770479 0.78 MEN1 (0.49) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL10569376 0.76 BCL9 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL9362707 0.76 MEN1 (0.54) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL7401252 0.75 MEN1 (0.51) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL26555623 0.75 CA1 (0.50) ALDH1A1KMT2AMEN1NPC1MAPT
SCHEMBL8483775 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1NPC1MAPT

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
US-5021559-A Water-soluble azo compounds containing a fiber-reactive group of the vinylsulfone series, suitable as dyestuffs HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
US-5010180-A Printing, dyeing HOECHST AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed