SCHEMBL24697183

SCHEMBL24697183

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

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KHK P50053 1/20 0.38
TRPV4 Q9HBA0 2/20 0.35
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
AR P10275 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
SCHEMBL24696458 0.81 TSHR (0.35)
SCHEMBL7950341 0.77 KEAP1 (0.42) KHKTRPV4
SCHEMBL8167910 0.76 KDM4E (0.44)
SCHEMBL13660126 0.75 KHK (0.48) KHKTRPV4ADRB2ADRB1
SCHEMBL6661759 0.73 KHK (0.47) KHKTRPV4ADRB2ADRB1
SCHEMBL332547 0.73 TRPV4 (0.56) KHKTRPV4ADRB2ADRB1
SCHEMBL31127856 0.73 POLB (0.35)
SCHEMBL31550240 0.73 TRPV4 (0.42) KHKTRPV4ADRB2ADRB1AR
SCHEMBL27351641 0.72 KDM4E (0.35) KHKTRPV4ADRB2ADRB1AR
SCHEMBL5846599 0.72 KHK (0.43) KHKTRPV4ADRB2ADRB1

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