SCHEMBL10583134

SCHEMBL10583134

CC(O)Cc1cc(NC(=O)O)cc([N+](=O)[O-])c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
HTT P42858 4/20 0.37
RECQL P46063 2/20 0.37
ALOX15 P16050 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALOX12 P18054 1/20 0.37
CYP2D6 P10635 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CES2 O00748 1/20 0.36
ABCB11 O95342 1/20 0.36

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
SCHEMBL10583125 1.00 MAPT (0.41) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10581813 0.81 MAPT (0.43) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL9113733 0.79 MAPT (0.44) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL10581369 0.78 HTT (0.51) MAPTLMNAMEN1KMT2AMAPK1
SCHEMBL988312 0.72 LMNA (0.50) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL988797 0.72 LMNA (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL988796 0.72 LMNA (0.44) MAPTSMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10621299 0.72 MAPT (0.34) MAPTSMN1; SMN2LMNAALOX15ALOX12
SCHEMBL9820264 0.71 TDP1 (0.42) MAPTSMN1; SMN2MEN1KMT2AALOX15
SCHEMBL27612062 0.69 RAB9A (0.48) MAPTSMN1; SMN2LMNAMEN1KMT2A

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
US-4888445-A New 2,4-dinitro- or 2-amino-4-nitro- or 2-nitro-4-amino-6-hydroxyalkylanilines, the process for preparation thereof and their use in dyeing keratinous fibres, and especially human hair L'OREAL (FR) 1989-12-19 US disclosed