SCHEMBL27673147

SCHEMBL27673147

Nc1cc(-c2ccccc2O)c2c(c1)[nH]c1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.51
IMPDH1 P20839 1/20 0.51
CHEK1 O14757 3/20 0.43
WEE1 P30291 2/20 0.43
CDK4 P11802 2/20 0.43
CCND1 P24385 2/20 0.43
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA6 P23280 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
GPR3 P46089 1/20 0.38
HSD17B10 Q99714 1/20 0.38
AHR P35869 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL3886228 0.82 IMPDH2 (0.59) IMPDH2IMPDH1CHEK1CDK4CCND1
SCHEMBL27673145 0.81 CDK4 (0.47) IMPDH2IMPDH1CHEK1WEE1CDK4
SCHEMBL27653109 0.80 IMPDH2 (0.72) IMPDH2IMPDH1CHEK1WEE1CDK4
SCHEMBL30565440 0.80 IMPDH2 (0.72) IMPDH2IMPDH1CHEK1WEE1CDK4
SCHEMBL27673124 0.79 APP (0.44) IMPDH2IMPDH1CHEK1CDK4CCND1
Carbazole SCHEMBL27571745 0.78 ALDH1A1 (0.64) IMPDH2IMPDH1CHEK1WEE1CA1
SCHEMBL28762585 0.78 IMPDH2 (0.50) IMPDH2IMPDH1CHEK1WEE1CDK4
SCHEMBL27653234 0.77 IMPDH2 (0.57) IMPDH2IMPDH1CHEK1WEE1CDK4
SCHEMBL3881310 0.75 CDK4 (0.51) IMPDH2IMPDH1CDK4CCND1ALDH1A1
SCHEMBL27673106 0.74 PARP1 (0.47) IMPDH2IMPDH1CHEK1WEE1CDK4

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
CN-1937994-A Keratin dyeing compounds, keratin dyeing compositions containing them and their use PROCTER & GAMBLE (US) 2007-03-28 CN disclosed