SCHEMBL28280467

SCHEMBL28280467

N#Cc1cnn(-c2ccc(NC(=O)Cc3cccc(CN)c3)cc2S(N)(=O)=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
ROCK2 O75116 1/20 0.41
P2RX4 Q99571 8/20 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
CFD P00746 1/20 0.40
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA12 O43570 1/20 0.38
CA5A P35218 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL28280449 0.94 LMNA (0.43) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL29716784 0.90 P2RX4 (0.49) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL19552011 0.90 P2RX4 (0.49) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL19551788 0.90 CES2 (0.43) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL19551742 0.90 P2RX4 (0.51) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL22353011 0.88 LMNA (0.40) LMNAROCK2P2RX4CYP2C8CYP2D6
SCHEMBL28279232 0.87 P2RX4 (0.47) P2RX4CYP2C8CYP2D6CYP2C9ADRA2B
SCHEMBL28280445 0.87 P2RX4 (0.43) ROCK2P2RX4CYP2C8CYP2D6CYP2C9
SCHEMBL28280448 0.86 P2RX4 (0.46) P2RX4CA1CA2CA12CA9
SCHEMBL19551485 0.86 LMNA (0.40) LMNAP2RX4CYP2C8CYP2D6CYP2C9

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