SCHEMBL28076707

SCHEMBL28076707

CC(=O)n1nc(N)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 1/20 0.62
CDK5 Q00535 1/20 0.62
TYRO3 Q06418 1/20 0.62
ELANE P08246 11/20 0.54
POLB P06746 1/20 0.48
IKBKB O14920 1/20 0.43
MAP3K14 Q99558 1/20 0.43
TSHR P16473 1/20 0.43
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSD17B10 Q99714 2/20 0.40
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL11749311 0.84 ELANE (0.49) PDGFRACDK5TYRO3ELANEPOLB
SCHEMBL30881847 0.82 PDGFRA (0.43) PDGFRACDK5TYRO3ELANEPOLB
SCHEMBL11754694 0.81 ELANE (0.48) PDGFRACDK5TYRO3ELANEF2
SCHEMBL726679 0.80 ELANE (0.60) ELANEPOLBIKBKBF2PLAU
SCHEMBL6113809 0.79 ELANE (0.69) ELANEPOLBF2PLAU
SCHEMBL517483 0.79 ELANE (0.55) ELANETSHRF2PLAUL3MBTL1
SCHEMBL27971365 0.79 ELANE (0.54) PDGFRACDK5TYRO3ELANEPOLB
SCHEMBL5583818 0.79 ELANE (0.54) PDGFRACDK5TYRO3ELANEPOLB
SCHEMBL5822952 0.78 MAP2K4 (0.47) PDGFRACDK5TYRO3ELANEF2
SCHEMBL8304178 0.75 ELANE (0.54) PDGFRACDK5TYRO3ELANEPOLB

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-105753841-A N-indazole substituted thiourea derivatives and preparation method and application thereof 西安交通大学 2016-07-13 CN disclosed