SCHEMBL9622602

SCHEMBL9622602

Cc1ccc(Nc2ccc(N)cc2[N+](=O)[O-])c(OC(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
KCNMA1 Q12791 2/20 0.46
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
RECQL P46063 1/20 0.43
HPGD P15428 1/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
KAT2B Q92831 2/20 0.41
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL9622919 0.86 MAPT (0.46) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9622892 0.86 MAPT (0.56) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9622901 0.86 L3MBTL1 (0.49) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL127397 0.85 MAPT (0.57) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6135331 0.85 MAPT (0.50) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL9623030 0.85 MAPT (0.52) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL10531801 0.81 MAPT (0.56) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL9821173 0.81 MAPT (0.58) MAPTMEN1KMT2AALDH1A1TSHR
SCHEMBL9623039 0.80 L3MBTL1 (0.48) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14174531 0.80 MAPK1 (0.54) MAPTMEN1KMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0280187-B1 HAIR DYEING COMPOSITIONS WITH DIRECT-DYEING NITRO-DIPHENYL AMINE DERIVATIVES Henkel Kommanditgesellschaft auf Aktien (DE) 1992-01-02 EP disclosed