SCHEMBL11249142

SCHEMBL11249142

COC(=O)c1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(F)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
SOS1 Q07889 1/20 0.38
CFTR P13569 6/20 0.38
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABL1 P00519 2/20 0.34
SRC P12931 2/20 0.34
RXFP1 Q9HBX9 1/20 0.34
ALPL P05186 2/20 0.34
HDAC3 O15379 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC10 Q969S8 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
SDHB P21912 1/20 0.33
RORC P51449 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
SCHEMBL11257627 0.93 SOS1 (0.37) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11253288 0.92 SOS1 (0.36) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11251007 0.91 SOS1 (0.40) NOTUMSOS1CFTRMAPTKDM4E
SCHEMBL11240936 0.90 SOS1 (0.40) NOTUMSOS1CFTRMAPTKDM4E
SCHEMBL11260601 0.89 SOS1 (0.41) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11262332 0.87 ALDH1A1 (0.32) CFTRMAPTKDM4EALDH1A1LMNA
SCHEMBL11251640 0.86 SOS1 (0.37) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11249836 0.85 SOS1 (0.36) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11277981 0.84 SDHB (0.39) NOTUMSOS1CFTRKDM4EALDH1A1
SCHEMBL11248479 0.84 SOS1 (0.36) NOTUMSOS1CFTRKDM4EALDH1A1

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