SCHEMBL9820294

SCHEMBL9820294

O=[N+]([O-])c1c(NCCO)cc(SCCO)cc1NCCO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.47
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
LMNA P02545 4/20 0.40
HTT P42858 3/20 0.40
MCL1 Q07820 2/20 0.40
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38
ALOX12 P18054 1/20 0.38

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
SCHEMBL9820286 0.79 ALDH1A1 (0.49) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL10579453 0.78 MAPT (0.42) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL9771617 0.78 MAPT (0.47) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL9820246 0.74 KMT2A (0.48) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL4619073 0.74 KAT2B (0.51) MAPTALDH1A1TSHRTDP1GAA
SCHEMBL9820239 0.73 MAPT (0.45) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL10577037 0.72 MAPT (0.42) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL9820296 0.72 TSHR (0.47) MAPTALDH1A1SMN1; SMN2TSHRTDP1
SCHEMBL11022280 0.72 KMT2A (0.59) MAPTALDH1A1SMN1; SMN2TSHRTDP1
Hydrochloric Acid SCHEMBL5063788 0.72 KAT2B (0.54) MAPTALDH1A1TSHRTDP1GAA

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 claimed
US-4863482-A FROM A TRIHALONITROBENZENE L'OREAL (FR) 1989-09-05 US claimed
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 claimed
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