SCHEMBL9820249

SCHEMBL9820249

CNc1cc(Cl)cc(NCCOC)c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.55
MAPT P10636 8/20 0.50
ALDH1A1 P00352 8/20 0.50
HCAR3 P49019 1/20 0.45
POLB P06746 5/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
ALPG P10696 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
RAB9A P51151 2/20 0.42
PTGER4 P35408 1/20 0.42
NPSR1 Q6W5P4 3/20 0.41
NPC1 O15118 1/20 0.41
MAPK1 P28482 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
TLR9 Q9NR96 1/20 0.41
GPR55 Q9Y2T6 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
SCHEMBL9771656 0.94 LMNA (0.60) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL9820245 0.86 LMNA (0.55) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL9771699 0.82 ALDH1A1 (0.54) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL14960085 0.81 LMNA (0.46) LMNAMAPTALDH1A1HCAR3POLB
Ammonia Solution, Strong SCHEMBL9820251 0.80 MAPT (0.40) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL15423129 0.79 MAPT (0.43) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL9771611 0.76 LMNA (0.59) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL9771713 0.76 MAPT (0.46) LMNAMAPTALDH1A1POLBMEN1
SCHEMBL2549528 0.76 LMNA (0.52) LMNAMAPTALDH1A1HCAR3POLB
SCHEMBL9771617 0.74 MAPT (0.47) LMNAMAPTALDH1A1POLBMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0303826-B1 SUBSTITUTED 2-NITRO METAPHENYLENE DIAMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN DYEING KERATINOUS FIBRES AND ESPECIALLY HUMAN HAIR L'OREAL (FR) 1991-02-27 EP disclosed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US disclosed
EP-0303826-A1 Substituted 2-nitro metaphenylene diamines, process for their preparation and their use in dyeing keratinous fibres and especially human hair L'OREAL (FR) 1989-02-22 EP disclosed