SCHEMBL9514388

SCHEMBL9514388

CCOP(=O)(Cc1ccc(C(C)(N)C#N)cc1C)OCC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HDAC1 Q13547 1/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ GABRP O00591 1/20 0.31
▸ GABRD O14764 1/20 0.31
▸ GABRA1 P14867 1/20 0.31
▸ GABRB1 P18505 1/20 0.31
▸ GABRG2 P18507 1/20 0.31
▸ GABRB3 P28472 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ GABRA3 P34903 1/20 0.31
▸ GABRA2 P47869 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ GABRA4 P48169 1/20 0.31
▸ GABRE P78334 1/20 0.31

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
SCHEMBL11285838 0.75 EGFR (0.41) EGFRMAPTHTTTSHRCCNT1
SCHEMBL12895124 0.73 PGK1 (0.45) EGFRMAPTHTTTSHRCCNT1
SCHEMBL9448834 0.73 EGFR (0.39) EGFRMAPTHTTTSHRCCNT1
SCHEMBL17367875 0.73 EGFR (0.39) EGFRMAPTHTTTSHRHDAC1
SCHEMBL16556012 0.72 CCNT1 (0.39) EGFRMAPTHTTTSHRCCNT1
SCHEMBL28088559 0.70 EPHX2 (0.46) EGFRMAPTHTTTSHREPHX2
SCHEMBL916350 0.69 CCNT1 (0.43) EGFRMAPTHTTTSHRCCNT1
SCHEMBL28546352 0.69 CA1 (0.48) MAPTHTTTSHRCCNT1CDK9
SCHEMBL20832270 0.68 GAA (0.42) EGFRMAPTTSHRCCNT1CDK9
SCHEMBL9512164 0.68 EGFR (0.34) EGFRMAPTHTTTSHRCCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0313002-B1 Phenyl glycines for use in reducing neurotoxic injury SEARLE & CO (US) 1993-12-01 — — EP disclosed
US-4918064-A TREATMENT OF ANOXIA OR ISCHEMIA G. D. SEARLE & CO. (US) 1990-04-17 — — US disclosed
EP-0313002-A2 Phenyl glycines for use in reducing neurotoxic injury G.D. Searle & Co. (US) 1989-04-26 — — EP disclosed
Send feedback