SCHEMBL9776288

SCHEMBL9776288

O=C1OCCN1c1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.56
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ POLB P06746 2/20 0.47
▸ PKM P14618 1/20 0.47
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ PRSS1 P07477 3/20 0.42
▸ GSTM2 P28161 1/20 0.42
▸ TSHR P16473 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPY1R P25929 1/20 0.41

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
SCHEMBL9776298 0.93 MAPT (0.49) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL9776302 0.87 MAPT (0.52) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL18630658 0.85 MAPT (0.60) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL9776285 0.84 MAPT (0.50) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL9776267 0.84 KMT2A (0.62) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL9776275 0.83 MAPT (0.40) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL9776305 0.82 KMT2A (0.43) MAPTALDH1A1SMN1; SMN2POLBPKM
SCHEMBL9776287 0.80 MAPT (0.47) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL18631013 0.74 MAPT (0.41) MAPTALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL18631010 0.74 MAPT (0.41) MAPTALDH1A1SMN1; SMN2POLBKMT2A

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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