SCHEMBL22340293

SCHEMBL22340293

COc1ccccc1-c1cn(-c2ccc(C)cc2)nn1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 2/20 0.56
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA5A P35218 3/20 0.49
CA5B Q9Y2D0 3/20 0.49
MIF P14174 1/20 0.49
STIM1 Q13586 1/20 0.47
ORAI1 Q96D31 1/20 0.47
PTGS2 P35354 2/20 0.46
PTGS1 P23219 1/20 0.46
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CA12 O43570 2/20 0.45
CA9 Q16790 2/20 0.45
KDR P35968 1/20 0.45
ESRRA P11474 1/20 0.44
NOTUM Q6P988 1/20 0.43

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
SCHEMBL28148259 0.85 ESRRA (0.56) FLT3CA1CA2CA5ACA5B
SCHEMBL30185436 0.85 FLT3 (0.52) FLT3CA1CA2CA5ACA5B
SCHEMBL30185433 0.85 FLT3 (0.52) FLT3CA1CA2CA5ACA5B
SCHEMBL30185429 0.84 FLT3 (0.54) FLT3CA1CA2CA5ACA5B
SCHEMBL29158522 0.82 CA1 (0.68) FLT3CA1CA2CA5ACA5B
SCHEMBL22643367 0.82 MIF (0.46) CA1CA2CA5ACA5BMIF
SCHEMBL28319782 0.81 FLT3 (0.60) FLT3CA1CA2CA5ACA5B
SCHEMBL28864474 0.81 STIM1 (0.62) CA1CA2CA5ACA5BMIF
SCHEMBL30185430 0.80 FLT3 (0.47) FLT3CA1CA2CA5ACA5B
SCHEMBL30185431 0.80 FLT3 (0.47) FLT3CA1CA2CA5ACA5B

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020163236-A1 TREATING LONG QT SYNDROME THE GENERAL HOSPITAL CORPORATION (US) 2020-08-13 WO disclosed
CN-109111404-A The preparation method of 1- aryl -4- methoxycarbonyl base -1,2,3- triazole derivatives 昆明理工大学 2019-01-01 CN disclosed