SCHEMBL14602399

SCHEMBL14602399

N#Cc1c(S)ccc(S)c1C#N

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV4 Q9HBA0 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.36
▸ KDM4E B2RXH2 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ CACNA1B Q00975 1/20 0.36
▸ APBA1 Q02410 1/20 0.36
▸ RECQL P46063 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MAOA P21397 1/20 0.30
▸ MAOB P27338 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
SCHEMBL27947357 0.87 TRPV4 (0.40) TRPV4ALDH1A1KDM4EMAPTMEN1
SCHEMBL27947352 0.84 TRPV4 (0.39) TRPV4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27930552 0.84 TRPV4 (0.39) TRPV4ALDH1A1KDM4EMEN1KMT2A
SCHEMBL6982992 0.75 AR (0.37) TRPV4ALDH1A1KDM4ERECQLTDP1
SCHEMBL23846800 0.74 TDP1 (0.50) TRPV4ALDH1A1MAPTMEN1KMT2A
SCHEMBL16556066 0.74 TRPV4 (0.43) TRPV4
SCHEMBL1392608 0.74 ALDH1A1 (0.45) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL16555432 0.74 TRPV4 (0.43) TRPV4ALDH1A1KDM4EMAPTMEN1
SCHEMBL2375554 0.73 TRPV4 (0.39) TRPV4TSHRMAOAMAOB
SCHEMBL3074213 0.73 MAOA (0.45) TRPV4ALDH1A1KDM4EMAPTMEN1

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
US-20070010645-A1 Red-shifted water dispersible IR dyes SILVERBROOK RESEARCH PTY LTD 2007-01-11 — — US disclosed
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