SCHEMBL21021091

SCHEMBL21021091

C=C(Nc1ccc(C#N)cc1)c1cc(N)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.44
LMNA P02545 2/20 0.44
HTT P42858 2/20 0.44
TSHR P16473 1/20 0.44
NLRP3 Q96P20 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
TMPRSS4 Q9NRS4 1/20 0.43
IDO1 P14902 1/20 0.42
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.37
SAE1 Q9UBE0 1/20 0.37

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
SCHEMBL18145983 0.84 TMPRSS4 (0.58) MAPTLMNAHTTTSHRNLRP3
SCHEMBL21022105 0.82 HTT (0.47) MAPTLMNAHTTTSHRMEN1
SCHEMBL21021093 0.79 PTGS1 (0.48) MAPTLMNATMPRSS4MEN1KMT2A
SCHEMBL21021414 0.74 KMT2A (0.42) MAPTLMNAHTTMEN1KMT2A
SCHEMBL21022144 0.74 NPSR1 (0.44) PPARGNPSR1JAK2TYK2CNR1
SCHEMBL21021579 0.73 MEN1 (0.44) MAPTLMNATSHRIDO1MEN1
SCHEMBL21021223 0.72 KDR (0.45) LMNATMPRSS4IDO1CA1CA2
SCHEMBL21021265 0.71 LMNA (0.42) MAPTLMNAHTTIDO1ALDH1A1
SCHEMBL18146894 0.70 P2RX1 (0.60) MAPTHTTIDO1MEN1KMT2A
SCHEMBL21022316 0.70 S1PR4 (0.36) MAPTTSHRTAS1R3TAS1R1TAS1R2

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
EP-3283459-B1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2019-05-22 EP disclosed