SCHEMBL9259012

SCHEMBL9259012

COC(=O)n1c(=O)cc(O)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
ALDH1A1 P00352 5/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
POLB P06746 1/20 0.43
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41

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
SCHEMBL20866891 0.79 POLB (0.61) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11375804 0.77 RET (0.38) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL8076374 0.76 KDM4E (0.57) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL835056 0.73 KDM4E (0.65) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL10842060 0.72 KMT2A (0.67) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL11544557 0.72 MAPT (0.59) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL18943558 0.71 POLB (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL18160192 0.71 POLB (0.46) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL4190262 0.70 ALDH1A1 (0.55) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL18157744 0.70 GABRP (0.45) KDM4EALDH1A1MEN1KMT2AMAPT

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-5382572-A Viricides SCHERING CORPORATION (US) 1995-01-17 US disclosed