SCHEMBL28280337

SCHEMBL28280337

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 7/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
CYP2C8 P10632 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ADRA2B P18089 1/20 0.40
HTR2C P28335 1/20 0.40
P2RX3 P56373 1/20 0.40
SLC6A3 Q01959 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
P2RX7 Q99572 1/20 0.40
CFD P00746 1/20 0.40
NLRP3 Q96P20 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
SCHEMBL19551597 0.91 P2RX4 (0.46) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL29716983 0.91 P2RX4 (0.46) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL29717035 0.90 P2RX4 (0.51) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL29716869 0.90 P2RX4 (0.56) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL19551572 0.90 P2RX4 (0.56) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL19552238 0.90 P2RX4 (0.51) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL28280445 0.89 P2RX4 (0.43) P2RX4MEN1KMT2AMAPTCYP2C8
SCHEMBL28279232 0.87 P2RX4 (0.47) P2RX4MEN1KMT2ACYP2C8CYP2D6
SCHEMBL29716800 0.86 P2RX4 (0.47) P2RX4MEN1KMT2ANLRP3NTRK1
SCHEMBL19551455 0.86 P2RX4 (0.47) P2RX4MEN1KMT2ANLRP3NTRK1

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