SCHEMBL27965183

SCHEMBL27965183

O=C(N1CCC(Nc2ccccc2)C1)N1CCC(Nc2ccccc2)C1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.57
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EPHX1 P07099 1/20 0.46
EPHX2 P34913 1/20 0.46
CCR5 P51681 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CARM1 Q86X55 1/20 0.44
PRMT6 Q96LA8 1/20 0.44

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
SCHEMBL6111608 0.90 SPR (0.57) SPRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL5244703 0.90 SPR (0.57) SPRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL27965179 0.87 LTA4H (0.56) SPRNPC1RAB9AEPHX1EPHX2
SCHEMBL27965491 0.85 SPR (0.47) SPRNPC1RAB9AEPHX2
SCHEMBL21958177 0.84 EGFR (0.54) SPR
SCHEMBL3801054 0.83 SPR (0.50) SPRNPC1TP53RAB9ASMN1; SMN2
SCHEMBL23360463 0.81 SPR (0.50) SPRSMN1; SMN2EPHX1CCR5
SCHEMBL23360461 0.81 SPR (0.50) SPRSMN1; SMN2EPHX1CCR5
SCHEMBL28188379 0.81 GFER (0.51) SPR
SCHEMBL7465143 0.80 KDM4E (0.51) SPREPHX1EPHX2CCR5KDM4E

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
CN-103983627-A Pyridopyrimidine compounds as anti-tubercular agents PASTEUR INSTITUT KOREA 2014-08-13 CN disclosed
CN-102105470-B Pyridopyrimidine compounds as antitubercular agents PASTEUR INSTITUT KOREA 2014-06-04 CN disclosed