SCHEMBL28624326

SCHEMBL28624326

CCOc1cc(F)c(C=O)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.37
PRKDC P78527 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
ERN1 O75460 2/20 0.35
DPP4 P27487 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KAT6A Q92794 2/20 0.33
NQO1 P15559 1/20 0.33
CHRM2 P08172 2/20 0.33
CHRM1 P11229 2/20 0.33
CHRM3 P20309 2/20 0.33
PTGS2 P35354 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL8007532 0.88 LMNA (0.42) LMNACA12CA1CA2CA7
SCHEMBL17440686 0.82 ERN1 (0.44) LMNAPRKDCCA12CA1CA2
SCHEMBL28468160 0.80 ERN1 (0.38) LMNAPOLBERN1DPP4ALDH1A1
SCHEMBL17440697 0.78 NPC1 (0.52) LMNAPOLBALDH1A1
SCHEMBL20607956 0.77 MAOB (0.49) CA12CA1CA2CA7CA9
SCHEMBL31550130 0.77 ALDH1A3 (0.41) LMNAPRKDCERN1ALDH1A1KAT6A
SCHEMBL28863844 0.75 LMNA (0.34) LMNAPRKDCKAT6ANQO1
SCHEMBL17543789 0.74 NQO1 (0.44) LMNANQO1PTGS2TSHR
SCHEMBL16269517 0.73 LMNA (0.51) LMNAPOLBERN1ALDH1A1TSHR
SCHEMBL29447891 0.72 TSHR (0.42) LMNACA12CA1CA2CA7

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
CN-107556244-B Fused ring compound, pharmaceutical composition and application thereof 上海迪诺医药科技有限公司 2021-09-03 CN disclosed