SCHEMBL20198141

SCHEMBL20198141

N=C/C=C\Nc1cc(Cl)ccc1C=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
ERN1 O75460 2/20 0.40
PTPN1 P18031 1/20 0.33
SRC P12931 1/20 0.32
HSD17B10 Q99714 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL5218972 0.79 TDP1 (0.55) TDP1ERN1PTPN1SRCHSD17B10
SCHEMBL20198170 0.75 TDP1 (0.43) TDP1ERN1PTPN1SRCALDH1A1
SCHEMBL28299606 0.72 TDP1 (0.55) TDP1ERN1PTPN1SRCHSD17B10
SCHEMBL9753459 0.68 TDP1 (0.50) TDP1ERN1ALDH1A1MEN1POLB
SCHEMBL4357334 0.66 TDP1 (0.70) TDP1ERN1PTPN1HSD17B10ALDH1A1
SCHEMBL29062573 0.65 ERN1 (0.52) TDP1ERN1PTPN1SRCHSD17B10
SCHEMBL14611052 0.65 CCR2 (0.59) ALDH1A1LMNA
SCHEMBL29889164 0.64 TDP1 (1.00) TDP1ERN1HSD17B10ALDH1A1POLB
Water SCHEMBL28578537 0.64 TDP1 (0.67) TDP1ERN1PTPN1HSD17B10ALDH1A1
SCHEMBL95435 0.64 TDP1 (1.00) TDP1ERN1HSD17B10ALDH1A1POLB

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-3698782-A1 CARBAMATE COMPOUNDS FOR USE IN THERAPY Lundbeck La Jolla Research Center, Inc. (US) 2020-08-26 EP disclosed
EP-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 EP disclosed