SCHEMBL28455442

SCHEMBL28455442

COC1(C)C=CC(c2cccc(Cl)c2)=CC1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.36
SLC6A3 Q01959 1/20 0.34
NOTUM Q6P988 2/20 0.33
KDM1A O60341 1/20 0.33
MAOB P27338 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDO2 P48775 1/20 0.32
IDO1 P14902 1/20 0.32
USP7 Q93009 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
DHFR P00374 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL1628431 0.71 NOTUM (0.38) PGRNOTUMKDM1AMAOBTAAR1
SCHEMBL4603856 0.67 ALOX5 (0.38) PGRNOTUMTAAR1TSHRNPC1
SCHEMBL5152974 0.65 HTT (0.30)
SCHEMBL21091939 0.64 PGR (0.38) PGRNOTUMIDO1MEN1KMT2A
SCHEMBL10410660 0.63 ALDH1A1 (0.37) NOTUMKDM1AMAOBTDO2DHFR
SCHEMBL28874371 0.61 HTT (0.34) KDM1AMAOBMEN1KMT2A
Hydrochloric Acid SCHEMBL10800694 0.60 MAOA (0.38) TSHRNPC1MAPTUSP7MEN1
SCHEMBL817554 0.59 ALOX5 (0.65) PGRNOTUMMAOBTAAR1TSHR
SCHEMBL31222672 0.59 ALOX5 (0.65) PGRNOTUMMAOBTAAR1TSHR
SCHEMBL28874378 0.59 HTT (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107531705-B Bicyclic ketone sulfonamide compounds 美国安进公司 2020-09-18 CN disclosed