SCHEMBL9776267

SCHEMBL9776267

COCCNc1ccc(N2CCOC2=O)cc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.62
▸ POLB P06746 3/20 0.62
▸ MEN1 O00255 3/20 0.62
▸ LMNA P02545 4/20 0.54
▸ HCAR3 P49019 1/20 0.52
▸ MAPT P10636 9/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ PTGER4 P35408 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.45
▸ HPGD P15428 1/20 0.45
▸ MAPK1 P28482 2/20 0.43
▸ PKM P14618 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
SCHEMBL9776302 0.86 MAPT (0.52) KMT2APOLBMEN1LMNAMAPT
SCHEMBL9776298 0.86 MAPT (0.49) KMT2APOLBMEN1LMNAMAPT
SCHEMBL9776285 0.85 MAPT (0.50) KMT2APOLBMEN1LMNAHCAR3
SCHEMBL9776288 0.84 MAPT (0.56) KMT2APOLBMEN1LMNAMAPT
SCHEMBL9776305 0.83 KMT2A (0.43) KMT2APOLBMEN1LMNAHCAR3
SCHEMBL9776287 0.82 MAPT (0.47) KMT2APOLBMEN1LMNAHCAR3
SCHEMBL9776275 0.78 MAPT (0.40) KMT2APOLBMEN1LMNAMAPT
SCHEMBL4655082 0.77 ALDH1A1 (0.48) KMT2APOLBMEN1LMNAMAPT
SCHEMBL29208209 0.75 LMNA (0.60) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL30884547 0.75 LMNA (0.60) KMT2AMEN1LMNAMAPTALDH1A1

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
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