SCHEMBL11260601

SCHEMBL11260601

COC(=O)c1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.41
NOTUM Q6P988 2/20 0.36
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ALPL P05186 2/20 0.34
CFTR P13569 5/20 0.34
SDHB P21912 1/20 0.33
ABL1 P00519 2/20 0.33
SRC P12931 1/20 0.33
XDH P47989 1/20 0.33
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32

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
SCHEMBL11251007 0.93 SOS1 (0.40) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11240936 0.91 SOS1 (0.40) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11249142 0.89 NOTUM (0.39) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11251581 0.87 KDM4E (0.32) SOS1ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL11251640 0.87 SOS1 (0.37) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11257627 0.87 SOS1 (0.37) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11249836 0.86 SOS1 (0.36) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11253288 0.86 SOS1 (0.36) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11277981 0.85 SDHB (0.39) SOS1NOTUMALDH1A1L3MBTL1KDM4E
SCHEMBL11248479 0.85 SOS1 (0.36) SOS1NOTUMALDH1A1L3MBTL1KDM4E

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-4314844-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1982-02-09 US disclosed