SCHEMBL28084589

SCHEMBL28084589

CN(C)CC1CCC(=O)N1c1ccc(N)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 11/20 0.40
PTGER3 P43115 5/20 0.40
PDGFRB P09619 1/20 0.40
FGFR1 P11362 1/20 0.40
KDR P35968 1/20 0.40
PTGDR Q13258 6/20 0.35
CYP19A1 P11511 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGER4 P35408 1/20 0.34
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 1/20 0.33
PTGER1 P34995 1/20 0.32

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
SCHEMBL28084590 1.00 PTGER2 (0.40) PTGER2PTGER3PDGFRBFGFR1KDR
SCHEMBL27959330 0.75 LMNA (0.43) PTGER2PTGER3PDGFRBFGFR1KDR
SCHEMBL27959331 0.75 LMNA (0.43) PTGER2PTGER3PDGFRBFGFR1KDR
SCHEMBL25416662 0.74 ALDH1A1 (0.42) CYP19A1KDM4EMEN1ALDH1A1MAPT
SCHEMBL30912507 0.74 ALDH1A1 (0.42) CYP19A1KDM4EMEN1ALDH1A1MAPT
SCHEMBL30912518 0.74 ALDH1A1 (0.42) CYP19A1KDM4EMEN1ALDH1A1MAPT
SCHEMBL849497 0.74 TSHR (0.38) PTGER2PTGER3PDGFRBFGFR1KDR
SCHEMBL849498 0.74 TSHR (0.38) PTGER2PTGER3PDGFRBFGFR1KDR
SCHEMBL27959528 0.71 KMT2A (0.36) PTGER2PTGER3CYP19A1KDM4EMEN1
SCHEMBL16422287 0.68 TDP1 (0.44) PTGER2PTGER3PTGDRMEN1MAPT

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-103848814-B The full ketone derivatives of substituted indole as tyrosine kinase inhibitor 山东亨利医药科技有限责任公司 2016-08-17 CN disclosed