SCHEMBL19305015

SCHEMBL19305015

O=C(O)c1ccnc(Cl)c1CBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
LMNA P02545 1/20 0.50
KDM4C Q9H3R0 6/20 0.45
KDM5A P29375 4/20 0.45
KDM4E B2RXH2 5/20 0.41
ASPH Q12797 2/20 0.41
KDM8 Q8N371 2/20 0.41
KDM4A O75164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
RAB9A P51151 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
HIF1AN Q9NWT6 1/20 0.37
KDM5B Q9UGL1 3/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL4954467 0.82 LMNA (0.50) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL29593855 0.80 ATR (0.50) SMN1; SMN2LMNAKDM4CKDM4EL3MBTL1
SCHEMBL15351124 0.80 ATR (0.50) SMN1; SMN2LMNAKDM4CKDM4EL3MBTL1
SCHEMBL15350459 0.78 CYP4F2 (0.50) LMNAKDM4EL3MBTL1TSHRCASP1
SCHEMBL1577580 0.77 KDM5B (0.46) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL31068139 0.76 SMN1; SMN2 (0.55) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL18030726 0.76 SMN1; SMN2 (0.55) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL83616 0.75 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL29486104 0.75 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4CKDM5AKDM4E
SCHEMBL21273627 0.74 KDM4E (0.41) SMN1; SMN2LMNAKDM4CKDM5AKDM4E

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-2841435-B1 PYRROLOPYRIDINONE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2017-09-06 EP disclosed