SCHEMBL2470925

SCHEMBL2470925

CNc1cc(CCO)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
MAPT P10636 6/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
CYP2C19 P33261 1/20 0.47
POLB P06746 2/20 0.45
HCAR3 P49019 1/20 0.44
HTT P42858 1/20 0.42
CDC25B P30305 1/20 0.38
SNCA P37840 1/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MEN1 O00255 1/20 0.37
GRK6 P43250 1/20 0.37

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
SCHEMBL14159396 0.91 MAPT (0.46) TSHRMAPTKMT2AALDH1A1CYP1A2
SCHEMBL13785257 0.83 MAPT (0.42) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL13680343 0.82 MAPT (0.51) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL28188446 0.82 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL19926298 0.80 HCAR3 (0.50) TSHRMAPTKMT2AALDH1A1CYP1A2
SCHEMBL10608137 0.80 TSHR (0.58) TSHRMAPTALDH1A1POLBSNCA
SCHEMBL692124 0.80 MAPT (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL30221865 0.80 MAPT (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL10025484 0.80 MAPT (0.44) MAPTKMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2248120 0.79 MAPT (0.46) MAPTKMT2AALDH1A1CYP1A2CYP2C9

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-0999823-B2 COMPOSITION FOR DYEING KERATIN FIBRES AND DYEING METHOD USING SAME OREAL (FR) 2011-10-05 EP claimed