SCHEMBL5246416

SCHEMBL5246416

Nc1cc(OCc2ccccc2)ncc1C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.49
▸ MAP4K4 O95819 1/20 0.46
▸ P4HTM Q9NXG6 1/20 0.46
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRG2 P18507 1/20 0.45
▸ GABRB3 P28472 1/20 0.45
▸ GABRA5 P31644 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45
▸ GABRG1 Q8N1C3 1/20 0.45
▸ GABRG3 Q99928 1/20 0.45

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
SCHEMBL4650095 0.82 FOLH1 (0.52) FOLH1P4HTMMEN1KMT2AGABRP
SCHEMBL27983120 0.80 GABRP (0.48) MAP4K4GABRPGABRDGABRA1GABRB1
SCHEMBL5252361 0.79 FOLH1 (0.52) FOLH1MAP4K4P4HTMMEN1KMT2A
SCHEMBL22715422 0.79 FOLH1 (0.52) FOLH1P4HTMMEN1KMT2AGABRP
SCHEMBL29472138 0.79 FOLH1 (0.52) FOLH1P4HTMMEN1KMT2AGABRP
Hydrochloric Acid SCHEMBL15968325 0.79 GABRG2 (0.47) MAP4K4GABRPGABRDGABRA1GABRB1
SCHEMBL22075603 0.77 GABRP (0.48) MAP4K4GABRPGABRDGABRA1GABRB1
SCHEMBL22117010 0.77 GABRG2 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL5495792 0.76 MAOB (0.60) P4HTMMEN1KMT2AMCL1NR4A2
SCHEMBL18031278 0.75 FOLH1 (0.51) FOLH1MAP4K4P4HTMPTGER1MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786785-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS Pfizer, Inc. (US) 2007-05-23 — — EP disclosed
WO-2006021884-A2 ENANTIOMERICALLY PURE AMINOHETEROARYL COMPOUNDS AS PROTEIN KINASE INHIBITORS PFIZER INC. (US) 2006-03-02 — — WO disclosed
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