SCHEMBL9771642

SCHEMBL9771642

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.64
▸ TSHR P16473 3/20 0.64
▸ MAPT P10636 4/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ MAPK1 P28482 2/20 0.54
▸ RAB9A P51151 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ LMNA P02545 1/20 0.54
▸ POLB P06746 1/20 0.54
▸ OPRD1 P41143 1/20 0.54
▸ OPRK1 P41145 1/20 0.54
▸ HTT P42858 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.54
▸ GPR55 Q9Y2T6 1/20 0.54
▸ GRIN2D O15399 1/20 0.39
▸ GRIN3B O60391 1/20 0.39
▸ GRIN1 Q05586 1/20 0.39

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
SCHEMBL30038982 1.00 ALDH1A1 (0.64) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL9771699 0.90 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL30038957 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL22154442 0.84 ALDH1A1 (0.53) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL25167005 0.82 MAPT (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL22125685 0.82 MAPT (0.51) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL9771768 0.82 ALDH1A1 (0.48) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL30038614 0.82 MAPT (0.51) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL30038383 0.80 MAPT (0.49) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL954217 0.80 ALDH1A1 (1.00) ALDH1A1TSHRMAPTMEN1KMT2A

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 6 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-4992586-A Dehalogenation of a halonitrobenzene compound L'OREAL (FR) 1991-02-12 — — US disclosed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 — — US disclosed
US-4845293-A HAIR DYE L'OREAL (FR) 1989-07-04 — — 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
US-4797129-A NITRO HAIR DYES L'OREAL (FR) 1989-01-10 — — US disclosed
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