SCHEMBL11247979

SCHEMBL11247979

COC(=O)c1cc(-c2nc(Br)c(C(F)(F)F)[nH]2)c(Br)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.38
NOTUM Q6P988 3/20 0.35
MAPT P10636 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
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
PDK2 Q15119 2/20 0.34
CFTR P13569 3/20 0.33
AMY1A P0DUB6 1/20 0.33
RHEB Q15382 1/20 0.33
SERPINH1 P50454 1/20 0.33
GAA P10253 1/20 0.32
SDHB P21912 1/20 0.32
ABL1 P00519 1/20 0.32
NQO2 P16083 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
SCHEMBL11251102 0.88 ALDH1A1 (0.32) MAPTKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL11260601 0.83 SOS1 (0.41) SOS1NOTUMKDM4EALDH1A1LMNA
SCHEMBL11251007 0.83 SOS1 (0.40) SOS1NOTUMMAPTKDM4EALDH1A1
SCHEMBL11240936 0.82 SOS1 (0.40) SOS1NOTUMMAPTKDM4EALDH1A1
SCHEMBL11249142 0.80 NOTUM (0.39) SOS1NOTUMMAPTKDM4EALDH1A1
SCHEMBL11242243 0.79 ALDH1A1 (0.46) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL11251656 0.79 NOTUM (0.54) NOTUMKDM4EALDH1A1LMNAHTT
SCHEMBL11251640 0.78 SOS1 (0.37) SOS1NOTUMKDM4EALDH1A1LMNA
SCHEMBL11257627 0.78 SOS1 (0.37) SOS1NOTUMKDM4EALDH1A1LMNA
SCHEMBL11253288 0.77 SOS1 (0.36) SOS1NOTUMKDM4EALDH1A1LMNA

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