SCHEMBL28280423

SCHEMBL28280423

NCc1ccc(CC(=O)Nc2ccc(-n3cc(Cl)cn3)c(S(N)(=O)=O)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 11/20 0.49
CYP2C8 P10632 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2C P28335 1/20 0.47
P2RX3 P56373 1/20 0.47
SLC6A3 Q01959 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47
P2RX7 Q99572 1/20 0.47
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
NLRP3 Q96P20 1/20 0.40
RET P07949 1/20 0.39
LMNA P02545 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
SCHEMBL19551582 0.94 CA12 (0.54) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL28279232 0.93 P2RX4 (0.47) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551459 0.92 P2RX4 (0.47) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551605 0.91 P2RX4 (0.55) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551433 0.91 P2RX4 (0.55) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551847 0.89 P2RX4 (0.53) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL29716978 0.89 P2RX4 (0.53) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551696 0.89 P2RX4 (0.45) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551795 0.89 CA12 (0.53) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551462 0.89 P2RX4 (0.46) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B

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
CN-109415321-A aromatic sulfonamide derivatives 拜耳制药股份公司 2019-03-01 CN disclosed