SCHEMBL9776282

SCHEMBL9776282

CCNc1ccc(NCCO)cc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 4/20 0.58
ALDH1A1 P00352 5/20 0.58
TSHR P16473 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
LMNA P02545 2/20 0.52
PKM P14618 2/20 0.49
MAPT P10636 6/20 0.47
HTT P42858 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 3/20 0.46
NPC1 O15118 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
POLB P06746 1/20 0.45
GALR3 O60755 1/20 0.45
KAT2B Q92831 1/20 0.44

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
SCHEMBL9748805 0.94 ALDH1A1 (0.58) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL127370 0.91 ALDH1A1 (0.68) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL29392416 0.91 ALDH1A1 (0.68) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL9776301 0.87 HTT (0.61) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL7031913 0.86 ALDH1A1 (0.61) HCAR3ALDH1A1TSHRTDP1PKM
SCHEMBL8645124 0.86 ALDH1A1 (0.61) HCAR3ALDH1A1TSHRTDP1PKM
SCHEMBL11772321 0.85 HCAR3 (0.57) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL7095920 0.84 ALDH1A1 (0.60) ALDH1A1TSHRTDP1LMNAPKM
SCHEMBL19666254 0.84 ALDH1A1 (0.54) HCAR3ALDH1A1TSHRTDP1LMNA
SCHEMBL7239404 0.84 ALDH1A1 (0.56) HCAR3ALDH1A1TSHRTDP1LMNA

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