SCHEMBL9508652

SCHEMBL9508652

Nc1ccc(-n2ccc3cc(O)c(O)cc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.38
KCNH2 Q12809 1/20 0.36
BIRC5 O15392 1/20 0.36
F2 P00734 2/20 0.35
F10 P00742 2/20 0.35
PRSS1 P07477 2/20 0.35
GPR35 Q9HC97 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
CDC7 O00311 2/20 0.35
CDK2 P24941 2/20 0.35
ACHE P22303 2/20 0.34
PLA2G4A P47712 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL9506012 0.86 MAPT (0.34) F2ALOX15MAPT
SCHEMBL257517 0.79 PRKCI (0.55) PRKCIKCNH2BIRC5ALDH1A1ALOX15
SCHEMBL29755944 0.77 PRKCI (0.57) PRKCIKCNH2BIRC5ALDH1A1ALOX15
SCHEMBL9508601 0.76 SRC (0.42) GPR35ALDH1A1HTTCDC7SRC
SCHEMBL1664307 0.72 ROCK2 (0.50) KCNH2ALDH1A1HTTPLA2G4AHDAC3
SCHEMBL6990859 0.72 BIRC5 (0.67) PRKCIBIRC5ALDH1A1ALOX15CDC7
SCHEMBL27693088 0.71 ALDH1A1 (0.39) ALDH1A1ALOX15HTTATMSMN1; SMN2
SCHEMBL4572982 0.70 KCNH2 (0.60) PRKCIKCNH2BIRC5ALDH1A1ALOX15
SCHEMBL16862053 0.70 BIRC5 (0.59) PRKCIKCNH2BIRC5ALDH1A1ALOX15
SCHEMBL30364829 0.70 KCNH2 (0.60) PRKCIKCNH2BIRC5ALDH1A1ALOX15

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-0335477-B1 THE USE OF N-SUBSTITUTED-5,6-DIHYDROXYINDOLES AS A HAIR COLORING AGENT Bristol-Myers Squibb Company (US) 1993-07-21 EP claimed
EP-0335477-A2 The use of N-substituted-5,6-dihydroxyindoles as a hair coloring agent Bristol-Myers Squibb Company (US) 1989-10-04 EP claimed