SCHEMBL15906641

SCHEMBL15906641

CNc1ccc(Cl)cc1C(=O)c1ccncc1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR9 P51686 12/20 0.64
ALDH1A1 P00352 2/20 0.61
KDM4E B2RXH2 1/20 0.61
GLA P06280 1/20 0.61
GAA P10253 1/20 0.61
MAPT P10636 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KCNMA1 Q12791 1/20 0.50
LMNA P02545 1/20 0.49

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
SCHEMBL8959210 0.88 ALDH1A1 (0.67) CCR9ALDH1A1KDM4EGLAGAA
SCHEMBL307185 0.86 CCR9 (0.74) CCR9ALDH1A1MAPTLMNA
SCHEMBL31384417 0.85 MAPT (0.67) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL333291 0.85 MAPT (0.67) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL28650 0.84 CCR9 (0.56) CCR9ALDH1A1MAPTSMN1; SMN2LMNA
Ammonia Solution, Strong SCHEMBL28210514 0.84 MAPT (0.65) ALDH1A1KDM4EGLAGAAMAPT
Ethane SCHEMBL11534058 0.84 MAPT (0.65) ALDH1A1KDM4EGLAGAAMAPT
SCHEMBL15906617 0.83 ALDH1A1 (0.56) CCR9ALDH1A1KDM4EGLAGAA
SCHEMBL19860936 0.83 CCR9 (0.54) CCR9ALDH1A1GAAMAPTSMN1; SMN2
SCHEMBL15906606 0.82 CCR9 (0.66) CCR9ALDH1A1KDM4EGLAGAA

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
EP-1798223-B2 Aryl sulfonamides CHEMOCENTRYX INC (US) 2014-07-30 EP disclosed