SCHEMBL28266159

SCHEMBL28266159

COc1cccc(CN2CN(c3ccc(Br)cc3)N=C2CN(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.44
HTT P42858 1/20 0.44
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
PKM P14618 1/20 0.41
LPO P22079 3/20 0.39
SIGMAR1 Q99720 1/20 0.39
CALM1 P0DP23 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
ROCK2 O75116 1/20 0.39
CMA1 P23946 1/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAOB P27338 1/20 0.38
GAA P10253 1/20 0.37
DRD4 P21917 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 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
SCHEMBL28868418 0.87 LMNA (0.46) LMNAHTTALOX15TSHRPKM
SCHEMBL19643992 0.87 LMNA (0.46) LMNAHTTALOX15TSHRPKM
SCHEMBL20985807 0.84 ROCK2 (0.59) ROCK2
SCHEMBL28267508 0.84 LMNA (0.48) LMNAHTTALOX15TSHRPKM
SCHEMBL28266102 0.74 LMNA (0.50) LMNAHTTALOX15TSHRPKM
SCHEMBL28186297 0.73 LMNA (0.51) LMNAHTTALOX15TSHRPKM
SCHEMBL20985827 0.71 ROCK2 (0.60) ROCK2
SCHEMBL19644071 0.70 ROCK2 (0.72) ROCK2CMA1TP53MAPT
SCHEMBL17912992 0.69 PKM (0.79) LMNAHTTALOX15TSHRPKM
SCHEMBL17912981 0.68 MEN1 (0.56) LMNAHTTALOX15TSHRPKM

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
CN-109153663-A Triazolones and Tetrazolones as ROCK Inhibitors 百时美施贵宝公司 2019-01-04 CN disclosed