SCHEMBL10577945

SCHEMBL10577945

Nc1c(CCCO)cc(NCCCO)c([N+](=O)[O-])c1NCCCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ALDH1A1 P00352 8/20 0.41
BCL6 P41182 1/20 0.40
BCOR Q6W2J9 1/20 0.40
MAPT P10636 9/20 0.39
HTT P42858 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPSR1 Q6W5P4 3/20 0.39
KDM4E B2RXH2 1/20 0.38
OPRK1 P41145 1/20 0.37
MCL1 Q07820 1/20 0.37
TLR9 Q9NR96 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
NTSR1 P30989 1/20 0.37
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36

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
SCHEMBL10580564 0.87 RAB9A (0.43) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL10580519 0.85 RAB9A (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL6672241 0.74 MAPT (0.41) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL8644435 0.74 ALDH1A1 (0.45) MEN1KMT2AALDH1A1BCL6BCOR
SCHEMBL5175161 0.74 MAPT (0.40) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL9820257 0.73 BCL6 (0.53) MEN1KMT2AALDH1A1BCL6BCOR
SCHEMBL10576372 0.72 POLB (0.38) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1996936 0.72 RAB9A (0.53) MEN1KMT2AALDH1A1BCL6BCOR
SCHEMBL9771579 0.72 ALDH1A1 (0.56) MEN1KMT2AALDH1A1BCL6BCOR
SCHEMBL10480614 0.71 ALDH1A1 (0.48) MEN1KMT2AALDH1A1BCL6BCOR

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
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-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