SCHEMBL24696458

SCHEMBL24696458

C=C(C)c1cc(N)c(C)cc1C#N

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
LRRK2 Q5S007 1/20 0.33
MAPT P10636 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
KDM4E B2RXH2 3/20 0.31
HSD17B10 Q99714 2/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
HIF1A Q16665 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL24697183 0.81 KHK (0.38)
SCHEMBL24696669 0.77 CYP3A4 (0.41) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL13147636 0.76 TSHR (0.48) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL21693757 0.75 KDM4E (0.49) TSHRCYP3A4MAPTKDM4EHSD17B10
SCHEMBL7024058 0.74 TSHR (0.52) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL22401233 0.73 KDM4E (0.49) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL10289771 0.73 KDM4E (0.49) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL19598684 0.72 CYP3A4 (0.50) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL1771090 0.71 TSHR (0.42) TSHRCYP3A4MAPK1MAPTTDP1
SCHEMBL29509774 0.71 TSHR (0.42) TSHRCYP3A4MAPK1MAPTTDP1

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
WO-2022254027-A1 3-PYRROLYLSULFONAMIDE COMPOUNDS AS GPR17 ANTAGONISTS REWIND THERAPEUTICS NV (BE) 2022-12-08 WO disclosed