SCHEMBL29933722

SCHEMBL29933722

CC1=NN(c2ccccc2C#N)C(=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.55
KMT2A Q03164 8/20 0.55
ALDH1A1 P00352 7/20 0.55
MEN1 O00255 6/20 0.55
GAA P10253 6/20 0.55
KDM4E B2RXH2 4/20 0.55
TDP1 Q9NUW8 4/20 0.55
CYP1A2 P05177 1/20 0.55
CHRM2 P08172 1/20 0.55
CYP3A4 P08684 1/20 0.55
CHRM1 P11229 1/20 0.55
TSHR P16473 1/20 0.55
PTGS1 P23219 1/20 0.55
DRD3 P35462 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
APP P05067 6/20 0.50
PDCD1 Q15116 1/20 0.50
CD274 Q9NZQ7 1/20 0.50
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL12396131 1.00 MAPT (0.55) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL4664740 0.79 MAPT (0.64) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL3407787 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL29851934 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL6951600 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL3533968 0.76 KMT2A (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL4661622 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL14759038 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL10597685 0.76 MAPT (0.60) MAPTKMT2AALDH1A1MEN1GAA
SCHEMBL30590658 0.74 MAPT (0.57) MAPTKMT2AALDH1A1MEN1GAA

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-115109073-A Crystalline tylorravone 南京中瑞药业有限公司 2022-09-27 CN disclosed