SCHEMBL16628259

SCHEMBL16628259

NC(=O)c1cn(Cc2ccc(Cl)cc2)c2cccnc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 2/20 0.50
CHRM1 P11229 10/20 0.49
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47
TUBA3E Q6PEY2 1/20 0.47
TUBA1A Q71U36 1/20 0.47
TUBA1C Q9BQE3 1/20 0.47
TUBB6 Q9BUF5 1/20 0.47
TUBB2B Q9BVA1 1/20 0.47
TUBB1 Q9H4B7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
NPY1R P25929 1/20 0.46

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
SCHEMBL16628263 0.88 POLB (0.56) CHRM1MAPTHTTCNR2
SCHEMBL22001753 0.85 POLB (0.53) CHRM1MAPTHTT
SCHEMBL20531421 0.84 CHRM1 (0.52) ADRA1DCHRM1
SCHEMBL16628260 0.84 CHRM1 (0.46) ADRA1DCHRM1CNR2
SCHEMBL16628324 0.83 CHRM1 (0.68) CHRM1
SCHEMBL16628329 0.82 CHRM1 (0.44) CHRM1
SCHEMBL22001755 0.81 CHRM1 (0.63) CHRM1
SCHEMBL16628328 0.80 RPS6KB1 (0.54) CHRM1HTTNPSR1
SCHEMBL18011014 0.80 CHRM1 (0.43) ADRA1DCHRM1KDM4ECNR2
SCHEMBL22001176 0.80 ALDH1A1 (0.48) CHRM1MAPTHTTNPSR1CNR2

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-2015049574-A1 4-AZAINDOLE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-09 WO disclosed