SCHEMBL3675765

SCHEMBL3675765

NC(N)c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
TDO2 P48775 2/20 0.52
F2 P00734 1/20 0.50
AOC3 Q16853 2/20 0.40
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC7 Q8WUI4 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC11 Q96DB2 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
HDAC5 Q9UQL6 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL12068599 0.83 F2 (0.67) F2
SCHEMBL12568800 0.81 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL933502 0.81 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL9906118 0.81 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL3252261 0.81 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL2008053 0.81 IDO1 (0.52) IDO1TDO2AOC3HDAC3HDAC4
Hydrochloric Acid SCHEMBL14119361 0.79 IDO1 (0.54) IDO1TDO2AOC3HDAC3HDAC4
Hydrochloric Acid SCHEMBL19951703 0.79 IDO1 (0.54) IDO1TDO2AOC3HDAC3HDAC4
SCHEMBL4457204 0.79 IDO1 (0.50) IDO1TDO2AOC3HDAC3HDAC4
Hydrochloric Acid SCHEMBL1695581 0.79 IDO1 (0.54) IDO1TDO2AOC3HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021071843-A1 MUSCARINIC ACETYLCHOLINE M1 RECEPTOR ANTAGONISTS Pipeline Therapeutics, Inc. (US) 2021-04-15 WO disclosed
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed