SCHEMBL9178689

SCHEMBL9178689

COC(=O)c1cccc2oc(CBr)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 2/20 0.54
KDM4E B2RXH2 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
KMT2A Q03164 3/20 0.42
ATM Q13315 2/20 0.42
GAA P10253 1/20 0.42
NR1H4 Q96RI1 1/20 0.41
RIPK1 Q13546 1/20 0.40
NPC1 O15118 5/20 0.40
RAB9A P51151 5/20 0.40
PKN1 Q16512 1/20 0.40
PKN2 Q16513 1/20 0.40
MAPT P10636 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 3/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL7721972 0.87 TOP2A (0.55) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL4307487 0.86 TOP2A (0.54) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL4303871 0.84 TOP2A (0.50) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL27379841 0.83 TOP2A (0.51) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL205455 0.80 TOP2A (0.66) TOP2AKDM4EALDH1A1HPGDATM
SCHEMBL1271524 0.80 SMN1; SMN2 (0.49) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL1398896 0.80 TOP2A (0.59) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL7440762 0.79 TOP2A (0.55) TOP2AKDM4EALDH1A1HPGDKMT2A
SCHEMBL12900291 0.79 TOP2A (0.47) TOP2AKDM4EALDH1A1HPGDNPC1
SCHEMBL9270249 0.78 ELANE (0.40) TOP2AKDM4EHPGDATMHSD17B10

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
US-5440046-A Angiotensin antagonist, hypotensive agent HOECHST AKTIENGESELLSCHAFT (DE) 1995-08-08 US disclosed
US-5350751-A Hypotensive agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-27 US disclosed