SCHEMBL9925358

SCHEMBL9925358

C=C(N=O)c1ccc2nc(C)c(Cl)c(-c3ccccc3Cl)c2c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ESR2 Q92731 1/20 0.37
MEN1 O00255 1/20 0.37
PDE2A O00408 6/20 0.36
PDE10A Q9Y233 6/20 0.36
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G2A P14555 1/20 0.35
GRM2 Q14416 1/20 0.34
HPD P32754 1/20 0.34

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
SCHEMBL9925338 0.91 HTR5A (0.40) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL15500555 0.87 ESR2 (0.40) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL9907721 0.84 ALDH1A1 (0.50) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL9907900 0.80 HTR5A (0.55)
SCHEMBL9907700 0.79 ALDH1A1 (0.61) LMNASMN1; SMN2KMT2AKDM4EMEN1
SCHEMBL12874494 0.78 HTR5A (0.47) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL12874527 0.77 KDM4E (0.43) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL15500564 0.76 HTR5A (0.46) FABP3FABP4LMNASMN1; SMN2PDE2A
SCHEMBL9907632 0.75 KMT2A (0.49) FABP3FABP4LMNASMN1; SMN2KMT2A
SCHEMBL12874644 0.73 HTR5A (0.46) KMT2AKDM4EMEN1PDE2APDE10A

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-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed