SCHEMBL9686988

SCHEMBL9686988

Nc1cc(F)c(NCC(O)CO)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
GLA P06280 1/20 0.46
ALDH1A1 P00352 4/20 0.39
ADRB2 P07550 1/20 0.38
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 5/20 0.33
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33
MCL1 Q07820 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR6 P50406 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL9686096 0.85 MAPT (0.75) MAPTALDH1A1ADRB2MEN1KMT2A
SCHEMBL109941 0.84 MAPT (0.58) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL111665 0.84 MAPT (0.54) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL30100539 0.84 MAPT (0.54) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL8349564 0.82 MAPT (0.55) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL9807546 0.81 MAPT (0.51) MAPTALDH1A1MEN1KMT2ATDP1
SCHEMBL9686092 0.77 MAPT (0.49) MAPTALDH1A1ADRB2MEN1KMT2A
SCHEMBL10758961 0.76 MAPT (0.54) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL10617199 0.76 MAPT (0.48) MAPTGLAALDH1A1ADRB2MEN1
SCHEMBL10485638 0.76 ATM (0.45) MAPTGLAALDH1A1CYP1A2CYP2C9

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-5163970-A NITRO-P-PHENYLENEDIAMINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND COLORING AGENTS CONTAINING THESE FOR USE ON KERATIN FIBRES HANS SCHWARZKOPF GMBH (DE) 1992-11-17 US disclosed
US-5067967-A Nitro dyes for oxidation color dyes 501 HANS SCHWARZKOPF GMBH (DE) 1991-11-26 US disclosed