SCHEMBL28280449

SCHEMBL28280449

N#Cc1cnn(-c2ccc(NC(=O)Cc3ccc(CN)cc3)cc2S(N)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.43
P2RX4 Q99571 7/20 0.42
RORC P51449 4/20 0.40
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
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
NTRK1 P04629 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA5B Q9Y2D0 1/20 0.38

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
SCHEMBL28280467 0.94 LMNA (0.43) LMNAP2RX4RORCCYP2C8CYP2D6
SCHEMBL19551485 0.93 LMNA (0.40) LMNAP2RX4RORCCYP2C8CYP2D6
SCHEMBL19552716 0.92 CA12 (0.49) LMNAP2RX4RORCCA1CA2
SCHEMBL19551428 0.92 P2RX4 (0.47) LMNAP2RX4RORCNTRK1MEN1
SCHEMBL19551527 0.92 P2RX4 (0.49) LMNAP2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL19551440 0.89 CA12 (0.52) LMNACA1CA2CA12CA9
SCHEMBL19551721 0.89 CACNA1H (0.38) LMNAP2RX4RORCCYP2C8CYP2D6
SCHEMBL28279131 0.88 NLRP3 (0.46) P2RX4RORCCA1CA2CA12
SCHEMBL19551434 0.88 ENPP1 (0.41) P2RX4RORCCYP2C8CYP2D6CYP2C9
SCHEMBL19552037 0.88 CA1 (0.40) LMNAP2RX4RORCCYP2C8CYP2D6

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