SCHEMBL9686404

SCHEMBL9686404

CNc1ccc([N+](=O)[O-])cc1N(CCO)CCO

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.51
ALDH1A1 P00352 9/20 0.48
TSHR P16473 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
KMT2A Q03164 2/20 0.44
HTT P42858 5/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 1/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.40
TLR2 O60603 1/20 0.39
TLR1 Q15399 1/20 0.39
PKM P14618 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
SCHEMBL10536392 0.89 ALDH1A1 (0.51) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL7472206 0.78 ALDH1A1 (0.55) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL8108406 0.78 HSD17B10 (0.51) MAPTALDH1A1TSHRKMT2AHTT
SCHEMBL18506044 0.77 ALDH1A1 (0.57) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL10536084 0.76 ALDH1A1 (0.56) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL7809597 0.76 ALDH1A1 (0.52) MAPTALDH1A1TSHRTDP1HTT
SCHEMBL110420 0.76 ALDH1A1 (0.52) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL2088798 0.75 ALDH1A1 (0.51) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL1984158 0.75 HSD17B10 (0.51) MAPTALDH1A1TSHRTDP1KMT2A
SCHEMBL8611833 0.75 MAPT (0.55) MAPTALDH1A1TSHRTDP1KMT2A

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
JP-4230619-A None JP disclosed
JP-H04230619-A HAIR DYEING COMPOSITION CONTAINING ANTHRAQUINONE COMPOUND L'OREAL SA 1992-08-19 JP disclosed