SCHEMBL10481440

SCHEMBL10481440

O=C(Nc1cccc(C(F)(F)F)c1)c1sc2ccccc2c1O

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TASP1 Q9H6P5 1/20 0.61
▸ P2RX1 P51575 1/20 0.56
▸ KMT2A Q03164 5/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ MAPT P10636 2/20 0.54
▸ HTT P42858 2/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ PTGS1 P23219 1/20 0.52
▸ RXFP1 Q9HBX9 3/20 0.52
▸ KCNK3 O14649 1/20 0.51
▸ OPRK1 P41145 1/20 0.51
▸ F10 P00742 1/20 0.51
▸ LMNA P02545 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ GAA P10253 1/20 0.50

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
SCHEMBL9660830 0.81 RAB9A (0.58) KMT2AMEN1MAPTRAB9ARXFP1
SCHEMBL10481490 0.81 MAPK14 (0.56) KMT2AMEN1L3MBTL1RAB9ALMNA
SCHEMBL10069116 0.76 TASP1 (1.00) TASP1KMT2AMEN1L3MBTL1MAPT
SCHEMBL4683413 0.73 KCNK3 (0.88) P2RX1KMT2AMEN1L3MBTL1MAPT
SCHEMBL27652617 0.73 RXFP1 (0.88) P2RX1MAPTPTGS1RXFP1
SCHEMBL11955716 0.73 F10 (0.55) KMT2AMEN1MAPTRAB9ARXFP1
SCHEMBL24141032 0.72 MAPT (0.84) P2RX1KMT2AMEN1MAPTHTT
Salfluverine SCHEMBL2700016 0.72 P2RX1 (1.00) P2RX1MAPTPTGS1RXFP1
SCHEMBL9524357 0.72 KMT2A (0.56) P2RX1KMT2AMEN1L3MBTL1MAPT
Hydrochloric Acid SCHEMBL29693050 0.72 KCNK3 (0.86) P2RX1KMT2AMEN1L3MBTL1MAPT

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-4800211-A ENZYME INHIBITORS MERCK & CO., INC. (US) 1989-01-24 — — US disclosed
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