SCHEMBL28280445

SCHEMBL28280445

NCc1cccc(CC(=O)Nc2ccc(-n3cc(F)cn3)c(S(N)(=O)=O)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 9/20 0.43
CFD P00746 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2C P28335 1/20 0.41
P2RX3 P56373 1/20 0.41
SLC6A3 Q01959 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
P2RX7 Q99572 1/20 0.41
CA12 O43570 2/20 0.40
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CA5A P35218 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
SCHEMBL28279246 0.93 P2RX4 (0.47) P2RX4CFDCYP2C8CYP2D6CYP2C9
SCHEMBL29716961 0.93 MEN1 (0.47) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551528 0.93 MEN1 (0.47) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551571 0.90 P2RX4 (0.52) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL19551591 0.90 P2RX4 (0.53) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL29716850 0.90 P2RX4 (0.53) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL28280337 0.89 P2RX4 (0.46) P2RX4CFDCYP2C8CYP2D6CYP2C9
SCHEMBL28279232 0.89 P2RX4 (0.47) P2RX4CFDCYP2C8CYP2D6CYP2C9
SCHEMBL19551561 0.88 CA12 (0.54) P2RX4CA12CA1CA2CA9
SCHEMBL19551548 0.88 CA1 (0.43) 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