SCHEMBL6960209

SCHEMBL6960209

Cc1nn(-c2ccccc2)c(C)c1NC(C#N)c1cccc(C#N)c1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 2/20 0.48
ALDH1A1 P00352 4/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
HTT P42858 1/20 0.39
SLC34A1 Q06495 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GRM5 P41594 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 1/20 0.36
SOS1 Q07889 1/20 0.36

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
SCHEMBL6972133 0.77 MAPT (0.46) PLK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6972135 0.74 MEN1 (0.47) PLK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6964973 0.72 PLK1 (0.40) PLK1ALDH1A1LMNAMEN1KMT2A
SCHEMBL6964975 0.70 PLK1 (0.42) PLK1ALDH1A1LMNAKMT2ANPSR1
SCHEMBL23558108 0.67 SMN1; SMN2 (0.59) PLK1ALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL4239653 0.65 AR (0.54) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL20037217 0.65 MEN1 (0.60) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL31338927 0.65 SLC6A2 (0.46) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL3927383 0.64 KDM4E (0.62) PLK1ALDH1A1HTTNPSR1TSHR
SCHEMBL20075148 0.64 SLC34A1 (0.53) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed