SCHEMBL7334398

SCHEMBL7334398

CC(C)(C)C(=O)Nc1ccc(C(C#N)OCC(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
LMNA P02545 3/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AR P10275 2/20 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
SCHEMBL7342164 0.73 LMNA (0.37) LMNAMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL7733701 0.69 L3MBTL1 (1.00) L3MBTL1LMNAPOLBMAPTALDH1A1
SCHEMBL3736169 0.68 L3MBTL1 (0.73) L3MBTL1LMNAMAPTALDH1A1HTT
SCHEMBL12788587 0.68 L3MBTL1 (0.73) L3MBTL1LMNAMAPTALDH1A1CA12
SCHEMBL7334393 0.68 AR (0.42) L3MBTL1MAPTAR
SCHEMBL12156644 0.67 L3MBTL1 (0.70) L3MBTL1LMNAPOLBMAPTALDH1A1
SCHEMBL2581334 0.67 L3MBTL1 (0.70) L3MBTL1LMNAPOLBMAPTALDH1A1
SCHEMBL3022084 0.66 EPHX2 (0.71) L3MBTL1LMNAMAPTALDH1A1
SCHEMBL14256552 0.65 L3MBTL1 (0.73) L3MBTL1LMNAMAPTALDH1A1HTT
SCHEMBL28405760 0.65 L3MBTL1 (0.66) L3MBTL1LMNAMAPTALDH1A1HTT

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-5968938-A Piperazine oxytocin receptor antagonists MERCK & CO., INC. (US) 1999-10-19 US disclosed