SCHEMBL10952937

SCHEMBL10952937

Cc1cc(N)cc(Cc2c(C)c(N)c(C)c(Cc3cc(N)cc(C)c3O)c2O)c1O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
PDE10A Q9Y233 1/20 0.33
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
TP53 P04637 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
PKM P14618 1/20 0.30
RPS6KA3 P51812 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL854703 0.83 SHBG (0.45) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL14095681 0.77 PDE10A (0.41) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL27611624 0.75 SHBG (0.39) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL12209717 0.74 ALDH1A1 (0.40) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL6651758 0.73 ALDH1A1 (0.35) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL7452287 0.71 ALDH1A1 (0.44) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL14095698 0.71 AMY1A (0.42) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL9800893 0.71 GABRA1 (0.38) SHBGKDM4EALDH1A1GAAMAPT
SCHEMBL655476 0.70 CA1 (0.58) KDM4EALDH1A1GAAMAPTLMNA
SCHEMBL9115480 0.69 ALOX5 (0.48) SHBGKDM4EALDH1A1GAAMAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4137080-A POLYFUNCTIONAL COUPLER AND DEVELOPER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-01-30 US claimed
US-4520093-A COMPENSATING PIGMENTS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-05-28 US disclosed
US-4211561-A SILVER HALIDE EMULSIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-07-08 US disclosed
US-4137080-A POLYFUNCTIONAL COUPLER AND DEVELOPER KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1979-01-30 US disclosed