SCHEMBL9506012

SCHEMBL9506012

Nc1ccc(-n2ccc3cc(O)c(O)cc32)cc1.Oc1cc2cc[nH]c2cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.34
TYR P14679 1/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
ALOX15 P16050 1/20 0.34
RAD51 Q06609 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HTR6 P50406 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31

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
SCHEMBL9508652 0.86 PRKCI (0.38) MAPTALOX15F2
SCHEMBL9506799 0.82 SRC (0.35) MAPTGAA
SCHEMBL28298713 0.72 TYR (0.58) TYRUSP2GAAALOX15RAD51
SCHEMBL48994 0.72 TYR (0.58) TYRUSP2GAAALOX15RAD51
SCHEMBL31375356 0.72 TYR (0.58) TYRUSP2GAAALOX15RAD51
SCHEMBL31375351 0.72 TYR (0.58) TYRUSP2GAAALOX15RAD51
SCHEMBL9504583 0.71 TYR (0.37) MAPTTYRUSP2GAAALOX15
Hydrochloric Acid SCHEMBL4625112 0.71 TYR (0.56) TYRUSP2GAAALOX15RAD51
Bromide SCHEMBL29769307 0.71 TYR (0.56) TYRUSP2GAAALOX15RAD51
Bromide SCHEMBL27546379 0.71 TYR (0.56) TYRUSP2GAAALOX15RAD51

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-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