SCHEMBL7464263

SCHEMBL7464263

N#Cc1ccc(C#N)c2nonc12

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 15/20 0.37
TRPV4 Q9HBA0 2/20 0.32
TSHR P16473 1/20 0.32
UPP1 Q16831 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
SCHEMBL13481782 0.87 MEN1 (0.42) MBOAT4
SCHEMBL1172890 0.78 KMT2A (0.42) TSHR
SCHEMBL16139727 0.77 MYC (0.54) TSHR
SCHEMBL20441084 0.76 MAPT (0.42) TSHR
SCHEMBL28604131 0.70 LRRK2 (0.36) TRPV4TSHR
SCHEMBL3501215 0.68 TRPV4 (0.32) TRPV4TSHRUPP1
SCHEMBL4261991 0.68 TRPV4 (0.32) TRPV4TSHRUPP1
SCHEMBL28597079 0.65 KDM4E (0.43) TRPV4TSHRUPP1
SCHEMBL30352797 0.65 KDM4E (0.43) TRPV4TSHRUPP1
SCHEMBL152358 0.61 TSHR (0.39) TRPV4TSHRUPP1

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-2002007780-A2 METHODS FOR IDENTIFYING THERAPEUTIC TARGETS NEWBIOTICS, INC. (US) 2002-01-31 WO disclosed