SCHEMBL8444619

SCHEMBL8444619

Nc1cccc(C=Cc2ccccc2)c1C(=O)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.42
▸ TRPA1 O75762 1/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ CES1 P23141 1/20 0.40
▸ SNCA P37840 1/20 0.38
▸ MAOB P27338 4/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ MAOA P21397 2/20 0.38
▸ DHFR P00374 1/20 0.38
▸ CYP2C19 P33261 1/20 0.36
▸ CYP1B1 Q16678 2/20 0.36
▸ CYP1A1 P04798 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ TNKS O95271 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 1/20 0.36

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
SCHEMBL7778542 0.83 MAPT (0.47) MAPTTRPA1NFE2L2SNCAMAOB
SCHEMBL15273217 0.76 TRPA1 (0.47) MAPTTRPA1NFE2L2CES1SNCA
SCHEMBL15273222 0.76 TRPA1 (0.47) MAPTTRPA1NFE2L2CES1SNCA
SCHEMBL2291339 0.73 MMP2 (0.44) MAPTHDAC3HDAC1HDAC2
SCHEMBL6933534 0.72 CYP19A1 (0.44) MAPTTRPA1NFE2L2CES1MAOB
SCHEMBL6933530 0.72 CYP19A1 (0.44) MAPTTRPA1NFE2L2CES1MAOB
SCHEMBL8444615 0.72 MAPT (0.43) MAPTCES1MAOBHDAC3HDAC1
SCHEMBL3885086 0.71 MAOB (0.56) MAPTTRPA1NFE2L2MAOBCYP19A1
SCHEMBL911942 0.71 MAOB (0.56) MAPTTRPA1NFE2L2MAOBCYP19A1
SCHEMBL29397541 0.71 MAOB (0.56) MAPTTRPA1NFE2L2MAOBCYP19A1

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-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 — — EP disclosed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 — — WO disclosed
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