SCHEMBL7935567

SCHEMBL7935567

NC(=O)NCC(F)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.39
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 3/20 0.30
NFKB1 P19838 2/20 0.30
CYP1A2 P05177 1/20 0.30
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
THPO P40225 1/20 0.30
CA2 P00918 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
CA5A P35218 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL4587915 0.79
SCHEMBL7938536 0.79 EPHX1 (0.33)
SCHEMBL5485259 0.77 CYP2D6 (0.50)
Hydrochloric Acid SCHEMBL29241688 0.75 MMP2 (0.40) TSHRCYP1A2CA2LMNA
SCHEMBL1942706 0.73 BCAT2 (0.42) BCAT2TDP1MEN1KMT2A
SCHEMBL20311892 0.73
SCHEMBL10098454 0.72
SCHEMBL16103419 0.72
Hydrochloric Acid SCHEMBL29241555 0.72 MMP2 (0.44) TSHRLMNACYP3A4
SCHEMBL19211623 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6218498-B1 USEFUL IN PREPARING MOISTURE CURABLE RTV-1 COMPOSITIONS, AND ARE USEFUL IN DIVERSE PROCESSES WHERE SCAVENGING OF PROTIC MATERIALS, PARTICULARLY WATER, IS DESIRED. WACKER-CHEMIE GMBH (DE) 2001-04-17 US disclosed
CN-1242016-A Organosilicon compounds having urea groups, method for producting same and their utilization WACKER CHEMIE GMBH (DE) 2000-01-19 CN disclosed