SCHEMBL2473585

SCHEMBL2473585

CCCn1c(CO)c(C)c2c(C(C)(C)C)cnc(N(Cc3ccc(F)cc3C)C(=O)O)c21

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL2473584 0.76 HTR2C (0.33) KDM5AKDM4CKDM5B
SCHEMBL2473104 0.73 POLB (0.33) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL2475422 0.66 HTR2A (0.33) KDM5AKDM4CKDM5B
SCHEMBL2479420 0.65 CASP6 (0.40)
SCHEMBL5437601 0.61 SMN1; SMN2 (0.39) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL5437592 0.61 SMN1; SMN2 (0.39) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL30482021 0.55 SMN1; SMN2 (0.39) ALDH1A1MAPK1KDM5AKDM4CKDM5B
SCHEMBL2625769 0.55 IDO1 (0.42) ALDH1A1
SCHEMBL30303044 0.55 MAPK14 (0.40) KDM5AKDM4CKDM5B
SCHEMBL2476555 0.55 MAPK14 (0.40) KDM5AKDM4CKDM5B

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-1787991-B1 PYRROLO[2,3-c]PYRIDINE COMPOUND, PROCESS FOR PRODUCING THE SAME, AND USE TAKEDA PHARMACEUTICAL (JP) 2011-10-05 EP disclosed