SCHEMBL6933530

SCHEMBL6933530

Nc1ccc(/C=C/c2ccccc2)c(C(=O)C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.44
▸ MAOB P27338 3/20 0.44
▸ MAOA P21397 2/20 0.44
▸ CYP1B1 Q16678 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ PTPN1 P18031 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ HNF4A P41235 1/20 0.38
▸ GRM4 Q14833 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ KDR P35968 2/20 0.36
▸ BCL2L1 Q07817 1/20 0.36
▸ BAD Q92934 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ THRB P10828 2/20 0.36
▸ RECQL P46063 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TDP1 Q9NUW8 2/20 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
SCHEMBL6933534 1.00 CYP19A1 (0.44) CYP19A1MAOBMAOACYP1B1NPSR1
SCHEMBL5387303 0.82 CYP19A1 (0.49) CYP19A1MAOBMAOACYP1B1NPSR1
SCHEMBL5387299 0.82 CYP19A1 (0.49) CYP19A1MAOBMAOACYP1B1NPSR1
SCHEMBL15273222 0.82 TRPA1 (0.47) MAOBCYP1B1CES1PTPN1MAPT
SCHEMBL15273217 0.82 TRPA1 (0.47) MAOBCYP1B1CES1PTPN1MAPT
SCHEMBL7073963 0.76 SMN1; SMN2 (0.38) CYP1B1PTPN1MAPTKMT2AKDM4E
SCHEMBL28760950 0.74 APP (0.53) CYP19A1MAOBMAOACYP1B1PTPN1
SCHEMBL27558526 0.74 BCL2L1 (0.52) CYP19A1MAOBMAOACYP1B1NPSR1
SCHEMBL8444619 0.72 MAPT (0.42) CYP19A1MAOBMAOACYP1B1CES1
SCHEMBL38503 0.72 KDM4E (0.59) NPSR1PTPN1MAPTKDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0953150-B1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE EIDGENOESSISCHE TECH HOCHSCHULE ZUERICH (CH) 2003-01-15 — — EP claimed
US-6409909-B1 MULTIDIMENSIONAL SYSTEM FOR THE REAGENT-FREE, CONTINUOUS DETECTION OF A SUBSTANCE; AMPEROMETRY AND OPTICAL SENSORS; EIDGENOSSISCHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2002-06-25 — — US claimed
EP-0953150-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1999-11-03 — — EP claimed
WO-1998030892-A1 MODULAR SENSOR SYSTEM FOR THE INDUSTRIAL PROCESS MEASUREMENT TECHNIQUE Eidgenössische Technische Hochschule Zürich (CH) 1998-07-16 — — WO claimed
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