SCHEMBL18978079

SCHEMBL18978079

Cc1coc(Cn2ccc3cnccc32)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.44
FLT1 P17948 10/20 0.44
RAPGEF4 Q8WZA2 2/20 0.43
P2RX7 Q99572 1/20 0.35
CYP19A1 P11511 2/20 0.34
BRD4 O60885 1/20 0.34
HTR6 P50406 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL18978078 0.81 KDR (0.39) KDRFLT1RAPGEF4
SCHEMBL18939052 0.81 CYP19A1 (0.39) KDRFLT1RAPGEF4P2RX7CYP19A1
SCHEMBL18939012 0.79 PLAU (0.44) KDRFLT1
SCHEMBL18951997 0.78 KDR (0.39) KDRFLT1RAPGEF4
Hydrochloric Acid SCHEMBL28647682 0.78 KDR (0.41) KDRFLT1
Hydrochloric Acid SCHEMBL18939085 0.78 KDR (0.39) KDRFLT1RAPGEF4
SCHEMBL18952053 0.76 KDR (0.41) KDRFLT1RAPGEF4
SCHEMBL18939093 0.76 FLT1 (0.46) KDRFLT1
SCHEMBL18977465 0.76 KDR (0.44) KDRFLT1RAPGEF4P2RX7HTR6
SCHEMBL28658614 0.76 KDR (0.46) KDRFLT1RAPGEF4CYP19A1HTR6

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
WO-2017096472-A1 CEPHEM COMPOUNDS, THEIR PRODUCTION AND USE NAEJA-RGM PHARMACEUTICALS INC. (CA) 2017-06-15 WO disclosed