SCHEMBL8603268

SCHEMBL8603268

NCCONCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
CYP3A4 P08684 3/20 0.45
MAPT P10636 2/20 0.45
LTA4H P09960 1/20 0.44
CA12 O43570 2/20 0.44
CA2 P00918 2/20 0.44
CA7 P43166 2/20 0.44
CA14 Q9ULX7 2/20 0.44
CA1 P00915 1/20 0.44
TAAR1 Q96RJ0 2/20 0.43
LOXL2 Q9Y4K0 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP2A6 P11509 1/20 0.43
HTR2A P28223 1/20 0.43
HRAS P01112 1/20 0.42
THRB P10828 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
HPGD P15428 2/20 0.41

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
SCHEMBL12805042 0.88 HRAS (0.42) IDO1CYP3A4MAPTCA12CA2
SCHEMBL336981 0.81 CA2 (0.47) IDO1CYP3A4MAPTCA12CA2
SCHEMBL5506614 0.79 KDM4E (0.45) IDO1CYP3A4MAPTCA12CA2
SCHEMBL5177626 0.79 IDO1 (0.46) IDO1CYP3A4MAPTCA12CA2
SCHEMBL27315456 0.78 IDO1 (0.53) IDO1MAPTSMN1; SMN2DRD4
SCHEMBL5501337 0.76 ALDH1A1 (0.47) CYP3A4MAPTLTA4HMEN1KMT2A
SCHEMBL14144826 0.76 DRD4 (0.42) IDO1CYP3A4MAPTCA12CA2
SCHEMBL10653567 0.76 SIGMAR1 (0.53) IDO1
SCHEMBL206646 0.76 HRAS (0.65) IDO1CYP3A4MAPTHRASTHRB
SCHEMBL22472264 0.75 EPHX2 (0.50) MAPTLTA4HSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0525360-B1 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1998-03-25 EP disclosed
US-5242944-A Analgesics or antiinflammatory agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-09-07 US disclosed
EP-0525360-A2 Novel phenylacetamide derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-02-03 EP disclosed