SCHEMBL19188166

SCHEMBL19188166

Cc1cc(NO)n(-c2cccc3ncccc23)n1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.43
MALT1 Q9UDY8 5/20 0.40
LMNA P02545 2/20 0.40
NTRK1 P04629 3/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPY5R Q15761 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL19187348 0.88 SLC9A1 (0.41) SLC9A1MALT1LMNANTRK1MAPT
SCHEMBL19188095 0.83 MET (0.43) SLC9A1MALT1LMNANTRK1MAPT
SCHEMBL15218573 0.82 LMNA (0.55) SLC9A1LMNAMAPTMEN1KMT2A
SCHEMBL15209784 0.80 SMN1; SMN2 (0.50) SLC9A1MALT1LMNAMAPTHTT
SCHEMBL20028704 0.78 SLC9A1 (0.47) SLC9A1MALT1LMNAMAPTHTT
SCHEMBL15209967 0.77 CYP2C9 (0.46) LMNAMAPTHTTL3MBTL1ALDH1A1
SCHEMBL19186998 0.77 MAPT (0.36) SLC9A1MALT1LMNAMAPTHTT
SCHEMBL19188109 0.77 ALDH1A1 (0.39) SLC9A1MALT1LMNANTRK1MAPT
SCHEMBL19187040 0.77 MALT1 (0.37) SLC9A1MALT1LMNAMAPTHTT
SCHEMBL15209797 0.76 ALDH1A1 (0.45) MALT1LMNAHTTNPY5RALDH1A1

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
EP-3263564-B1 AZA-ARYL 1H-PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR(9) ANTAGONISTS CHEMOCENTRYX INC (US) 2020-06-10 EP disclosed
EP-2820006-B1 PYRAZOL-1-YL BENZENE SULFONAMIDES AS CCR9 ANTAGONISTS CHEMOCENTRYX INC (US) 2017-08-02 EP disclosed