SCHEMBL4846827

SCHEMBL4846827

Cc1cc(CCNc2cc(C)c(N)c3oc4ccccc4c23)c2c(c1)oc1ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
MAPT P10636 6/20 0.35
GAA P10253 6/20 0.34
KDM4E B2RXH2 5/20 0.34
POLB P06746 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
HTT P42858 4/20 0.34
SMN1; SMN2 Q16637 4/20 0.34
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33

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
SCHEMBL3874539 0.81 RECQL (0.50) MAPTGAAKDM4EHTTALDH1A1
SCHEMBL3877504 0.79 KDM4E (0.47) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL3872796 0.79 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL4846820 0.78 MAPT (0.40) RAB9AMAPTGAAKDM4EPOLB
SCHEMBL3882591 0.71 RECQL (0.50) RAB9AMAPTGAAKDM4EHTT
SCHEMBL3878088 0.70 ALDH1A1 (0.52) MAPTGAAKDM4EALDH1A1TSHR
SCHEMBL3874836 0.69 KDM4E (0.47) MAPTGAAKDM4EHTTSMN1; SMN2
SCHEMBL3873224 0.69 NQO1 (0.43) RAB9AMAPTGAAKDM4ESMN1; SMN2
SCHEMBL4887783 0.68 IGF1R (0.38) EGFRIGF1RFLT4KDRMAPT
SCHEMBL3880857 0.67 MAOA (0.51) MAPTGAAKDM4EALDH1A1MAPK1

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
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed