SCHEMBL11457002

SCHEMBL11457002

Cc1ccc(S(=O)(=O)N(C)c2ccccc(=O)c2N)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 6/20 0.71
CA12 O43570 1/20 0.55
CA9 Q16790 1/20 0.55
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 1/20 0.51
MCOLN3 Q8TDD5 1/20 0.51
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
C1R P00736 1/20 0.44
PRSS1 P07477 1/20 0.44
GAA P10253 1/20 0.44
CYP2C9 P11712 1/20 0.43
CYP2C18 P33260 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL11439560 0.82 C5AR1 (0.71) C5AR1CA12CA9LMNATSHR
SCHEMBL11449738 0.79 C5AR1 (0.67) C5AR1CA12CA9LMNATSHR
SCHEMBL7150548 0.79 C5AR1 (0.83) C5AR1CA12CA9LMNATSHR
SCHEMBL9498051 0.78 C5AR1 (0.60) C5AR1CA12CA9LMNATSHR
SCHEMBL24125226 0.76 C5AR1 (0.77) C5AR1CA12CA9LMNATSHR
SCHEMBL3257725 0.76 C5AR1 (0.77) C5AR1CA12CA9LMNATSHR
SCHEMBL942802 0.76 C5AR1 (0.77) C5AR1CA12CA9LMNATSHR
SCHEMBL944589 0.75 C5AR1 (0.75) C5AR1CA12CA9LMNATSHR
SCHEMBL11441279 0.74 C5AR1 (0.67) C5AR1CA12CA9LMNATSHR
SCHEMBL25920653 0.73 C5AR1 (0.62) C5AR1CA12CA9LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4237127-A MITICIDES, LARVICIDES, OVICIDES FISONS LIMITED (GB) 1980-12-02 US disclosed
US-4183955-A Troponyl-oxamic acid derivatives for treating allergic conditions Ayerst. McKenna & Harrison Limited (CA) 1980-01-15 US disclosed
US-4125625-A ANTIALLERGENS AYERST, MCKENNA & HARRISON LIMITED (CA) 1978-11-14 US disclosed
US-4057556-A ANTIALLERGENS AYERST, MCKENNA & HARRISON LTD. (CA) 1977-11-08 US disclosed