SCHEMBL5318233

SCHEMBL5318233

CCCn1c(Br)nc2cc(C(=O)OC)ccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.63
PTGER4 P35408 5/20 0.50
CNR2 P34972 1/20 0.48
EHMT2 Q96KQ7 1/20 0.48
ITK Q08881 1/20 0.48
ALDH1A1 P00352 2/20 0.45
USP2 O75604 1/20 0.45
HPGD P15428 1/20 0.45
PPARG P37231 1/20 0.45
NCOA2 Q15596 1/20 0.45
NCOA1 Q15788 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
FGFR1 P11362 1/20 0.43
NPC1 O15118 2/20 0.43
MAPT P10636 2/20 0.43

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
SCHEMBL11374354 0.86 KDM4E (0.81) KDM4EPTGER4CNR2EHMT2ALDH1A1
SCHEMBL5317414 0.85 HCAR3 (0.56) KDM4EPTGER4ALDH1A1HPGDHSD17B10
SCHEMBL4259457 0.82 KDM4E (0.56) KDM4EPTGER4CNR2EHMT2ITK
SCHEMBL5316676 0.81 PTGER4 (0.58) KDM4EPTGER4CNR2EHMT2ITK
SCHEMBL9663682 0.81 PTGER4 (0.62) KDM4EPTGER4EHMT2ALDH1A1NPSR1
SCHEMBL1731129 0.77 KDM4E (1.00) KDM4EPTGER4ALDH1A1USP2NPSR1
SCHEMBL5375164 0.77 KDM4E (0.54) KDM4EPTGER4CNR2ALDH1A1NPSR1
SCHEMBL24688398 0.76 KDM4E (0.74) KDM4EPTGER4CNR2EHMT2ALDH1A1
SCHEMBL12380479 0.74 KDM4E (0.52) KDM4EPTGER4ALDH1A1HPGDTSHR
SCHEMBL31551691 0.74 KDM4E (0.65) KDM4EPTGER4EHMT2USP2NPSR1

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
WO-2007069053-A1 BENZIMIDAZOLE ANTAGONISTS OF THE H-3 RECEPTOR PFIZER PRODUCTS INC. (US) 2007-06-21 WO disclosed