SCHEMBL13926097

SCHEMBL13926097

O=S(=O)(CCCCI)c1ccc(Br)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLCG1 P19174 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ CA2 P00918 3/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ POLB P06746 6/20 0.43
▸ HSD11B1 P28845 1/20 0.42
▸ CTDSP1 Q9GZU7 5/20 0.41
▸ LMNA P02545 1/20 0.40
▸ TDP1 Q9NUW8 3/20 0.39
▸ GRK2 P25098 2/20 0.39
▸ RECQL P46063 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ APEX1 P27695 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ THRB P10828 1/20 0.39

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
SCHEMBL14543475 0.81 PLCG1 (0.55) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL21431073 0.81 PLCG1 (0.61) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5387555 0.80 PLCG1 (0.59) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3927298 0.80 KEAP1 (0.54) ALDH1A1CYP3A4CYP2C9CYP2C19CA2
SCHEMBL14379397 0.79 PLCG1 (0.59) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL26201360 0.78 MMP8 (0.61) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5446197 0.78 PLCG1 (0.57) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL3576166 0.78 PLCG1 (0.57) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL5104880 0.78 PLCG1 (0.57) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19
SCHEMBL1941210 0.78 CA2 (0.67) PLCG1ALDH1A1CYP3A4CYP2C9CYP2C19

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-7498415-B2 Recombinant antibody against human insulin-like growth factor KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-03-03 — — US disclosed
Send feedback