SCHEMBL9776299

SCHEMBL9776299

COCCNc1ccc(NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.64
LMNA P02545 3/20 0.62
MAPT P10636 7/20 0.59
ALDH1A1 P00352 4/20 0.59
RAB9A P51151 2/20 0.59
PTGER4 P35408 1/20 0.59
TSHR P16473 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
MEN1 O00255 1/20 0.54
PKM P14618 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.46

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
SCHEMBL127370 0.89 ALDH1A1 (0.68) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL29392416 0.89 ALDH1A1 (0.68) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL8645124 0.84 ALDH1A1 (0.61) HCAR3MAPTALDH1A1RAB9ATSHR
SCHEMBL7031913 0.84 ALDH1A1 (0.61) HCAR3MAPTALDH1A1RAB9ATSHR
SCHEMBL9748805 0.84 ALDH1A1 (0.58) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL9776282 0.84 HCAR3 (0.58) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL7095920 0.83 ALDH1A1 (0.60) LMNAMAPTALDH1A1RAB9ATSHR
SCHEMBL9776301 0.82 HTT (0.61) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL10536086 0.82 ALDH1A1 (0.59) HCAR3LMNAMAPTALDH1A1RAB9A
SCHEMBL18075204 0.82 HCAR3 (0.67) HCAR3LMNAMAPTALDH1A1RAB9A

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-5041143-A N,N'-disubstituted nitro-para-phenylenediamines, and dyeing compositions containing the same L'OREAL (FR) 1991-08-20 US disclosed
US-4910341-A Reacting chloroethyl chloroformate with 4-halo-3-nitroaniline in presence of a base; cyclization; alkaline hydrolysis L'OREAL (FR) 1990-03-20 US disclosed