SCHEMBL3863503

SCHEMBL3863503

Cc1ccc(C(=O)c2c(CCc3ccccc3)[nH]c3ccccc3c2=O)cc1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.47
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
PSMD14 O00487 1/20 0.44
IMPDH2 P12268 1/20 0.44
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
PAX8 Q06710 1/20 0.40
POLB P06746 1/20 0.39
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 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
SCHEMBL1548860 0.80 MAPT (0.53) KDM4ERAB9APSMD14MAPTSMN1; SMN2
SCHEMBL5296175 0.71 MTNR1A (0.52) ALOX5MTNR1AMTNR1BKDM4EMAPT
SCHEMBL5308272 0.70 TSHR (0.51) MTNR1AMTNR1BKDM4ERAB9AMAPT
SCHEMBL1072870 0.69 CFTR (0.54) RAB9AMAPTSMN1; SMN2TP53ALDH1A1
SCHEMBL1073197 0.69 CYP1A2 (0.50) KDM4ERAB9APSMD14MAPTSMN1; SMN2
SCHEMBL18229465 0.68 OXER1 (0.64) MTNR1AMTNR1BKDM4EMAPTALDH1A1
SCHEMBL13938710 0.68 IMPDH2 (0.46) KDM4EIMPDH2ALDH1A1GAANPC1
SCHEMBL1021903 0.67 SMN1; SMN2 (0.65) MAPTSMN1; SMN2TP53POLBLMNA
SCHEMBL14574432 0.67 CYP2D6 (0.51) KDM4ERAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL6014774 0.67 KDM4E (0.61) MTNR1AMTNR1BKDM4ERAB9AMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954274-A4 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-01-07 EP disclosed
EP-1954274-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE ChemoCentryx Inc (US) 2008-08-13 EP disclosed
WO-2007059108-A2 SUBSTITUTED QUINOLONES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-05-24 WO disclosed