SCHEMBL9870550

SCHEMBL9870550

COC(=O)/C=C/c1cccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 1/20 0.44
APP P05067 1/20 0.44
KDM4E B2RXH2 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KMT2A Q03164 1/20 0.43
IP6K1 Q92551 1/20 0.43
IP6K3 Q96PC2 1/20 0.43
IP6K2 Q9UHH9 1/20 0.43
PRKDC P78527 1/20 0.42
PTPN1 P18031 1/20 0.42
FDPS P14324 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
EPHX2 P34913 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TYR P14679 1/20 0.40
CA7 P43166 1/20 0.40

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
SCHEMBL9870552 1.00 TTR (0.44) TTRAPPKDM4ESMN1; SMN2KMT2A
SCHEMBL9874488 0.87 TTR (0.47) TTRKMT2AFDPSALDH1A1CA12
SCHEMBL9874485 0.87 TTR (0.47) TTRKMT2AFDPSALDH1A1CA12
SCHEMBL9873211 0.85 CYP1A2 (0.38) ABCB1
SCHEMBL9871024 0.85 PIM2 (0.49) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9871021 0.85 PIM2 (0.49) KDM4ESMN1; SMN2ALDH1A1
SCHEMBL9462232 0.85 CA12 (0.51) TTRAPPKDM4ESMN1; SMN2KMT2A
SCHEMBL9462236 0.85 CA12 (0.51) TTRAPPKDM4ESMN1; SMN2KMT2A
SCHEMBL9336274 0.85 CYP1A2 (0.38) ABCB1
SCHEMBL10515621 0.78

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
US-5064959-A Photoinitiators HOECHST AKTIENGESELLSCHAFT (DE) 1991-11-12 US disclosed