SCHEMBL27964658

SCHEMBL27964658

Nc1ccc(CO[PH](=O)O)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.50
GABRD O14764 2/20 0.50
GABRA1 P14867 2/20 0.50
GABRB1 P18505 2/20 0.50
GABRG2 P18507 2/20 0.50
GABRB3 P28472 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRB2 P47870 2/20 0.50
GABRA4 P48169 2/20 0.50
GABRE P78334 2/20 0.50
GABRA6 Q16445 2/20 0.50
GABRG1 Q8N1C3 2/20 0.50
GABRG3 Q99928 2/20 0.50
GABRQ Q9UN88 2/20 0.50
CPB2 Q96IY4 6/20 0.41
MET P08581 3/20 0.41
NNMT P40261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL21795784 0.79 CYP11B1 (0.37) ALDH1A1F2
SCHEMBL4076437 0.77 APP (0.46) SMN1; SMN2ALDH1A1GAA
SCHEMBL8606946 0.75 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28993971 0.74 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18779365 0.73 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2337973 0.72 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28119658 0.72 ABAT (0.48) HDAC6PRSS1TPSAB1TPSD1TPSG1
SCHEMBL32671837 0.72 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Butane SCHEMBL9443644 0.71 APP (0.41) SMN1; SMN2ALDH1A1GAA
SCHEMBL28059041 0.71 GABRP (0.49) GABRPGABRDGABRA1GABRB1GABRG2

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-102448955-B Aminopyrimidine Anticancer Compounds OSI PHARM INC 2014-06-18 CN disclosed