SCHEMBL5281789

SCHEMBL5281789

CN1CCN(c2c(F)cc3c(=O)c(OC(=O)NCc4ccc(Cl)cc4Cl)cn(C4CC4F)c3c2Cl)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.38
P2RX7 Q99572 9/20 0.37
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
ALB P02768 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TUBB4A P04350 1/20 0.36
TUBB P07437 1/20 0.36
TUBA3C P0DPH7 1/20 0.36
TUBA1B P68363 1/20 0.36
TUBA4A P68366 1/20 0.36
TUBB4B P68371 1/20 0.36
TUBB3 Q13509 1/20 0.36
TUBB2A Q13885 1/20 0.36

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
SCHEMBL5280465 0.89 EPHX2 (0.36) ALDH1A1P2RX7POLBCHRM2CHRM1
SCHEMBL5279342 0.89 EPHX2 (0.36) ALDH1A1P2RX7POLBCHRM2CHRM1
SCHEMBL5280454 0.89 EPHX2 (0.36) ALDH1A1P2RX7POLBCHRM2CHRM1
SCHEMBL12917291 0.89 ALDH1A1 (0.48) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5279826 0.87 P2RX7 (0.37) ALDH1A1P2RX7POLBCHRM2CHRM1
SCHEMBL5164103 0.84 ALDH1A1 (0.43) KDM4EALDH1A1P2RX7POLBCHRM2
SCHEMBL5278268 0.83 EPHX2 (0.36) KDM4EALDH1A1P2RX7HPGDHSD17B10
SCHEMBL5282151 0.82 KDM4E (0.46) KDM4EALDH1A1HPGDHSD17B10POLB
SCHEMBL5274263 0.81 ALDH1A1 (0.40) ALDH1A1P2RX7POLBCHRM2CHRM1
SCHEMBL5284756 0.81 KDM4E (0.41) KDM4EALDH1A1P2RX7HPGDHSD17B10

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
EP-1768973-B1 SUBSTITUTED QUINOLONES AICURIS GMBH & CO KG (DE) 2007-12-05 EP disclosed