SCHEMBL6141925

SCHEMBL6141925

Nc1ccc(NCc2cc(O)ccc2O)cc1CCO

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 18/20 0.60
RGS12 O14924 1/20 0.53
ALDH1A1 P00352 1/20 0.53
LCK P06239 1/20 0.53
MAPT P10636 1/20 0.53
CAMKK2 Q96RR4 1/20 0.53
NOX4 Q9NPH5 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HKDC1 Q2TB90 1/20 0.48
SYK P43405 1/20 0.47

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
Hydrochloric Acid SCHEMBL2990653 0.99 EGFR (0.59) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL6141584 0.89 EGFR (0.45) EGFRRGS12ALDH1A1LCKMAPT
Hydrochloric Acid SCHEMBL2984737 0.88 EGFR (0.44) EGFRRGS12ALDH1A1LCKMAPT
SCHEMBL7563737 0.83 MAPT (0.47) EGFRALDH1A1MAPTSYK
SCHEMBL5898768 0.80 HTR2C (0.46) EGFRALDH1A1MAPTTDP1
SCHEMBL6141590 0.80 MAPT (0.41) EGFRMAPTNOX4
SCHEMBL6739725 0.80 ADRA2B (0.37) EGFRRGS12ALDH1A1LCKMAPT
Hydrochloric Acid SCHEMBL2993181 0.79 EGFR (0.62) EGFRRGS12ALDH1A1LCKMAPT
Hydrochloric Acid SCHEMBL2981450 0.78 MAPT (0.40) EGFRMAPTNOX4
Hydrochloric Acid SCHEMBL6271307 0.78 ADRA2B (0.36) EGFRMAPTTDP1

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-1493731-A1 N-benzyl-p-phenylenediamine-derivatives containing colouring agents for keratin fibres and these derivatives Wella Aktiengesellschaft (DE) 2005-01-05 EP disclosed