SCHEMBL5042983

SCHEMBL5042983

COC(=O)CCCCCCN(Cc1ccc(-n2ccnc2)cc1)S(=O)(=O)c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.40
CYP2D6 P10635 4/20 0.40
CYP2C9 P11712 4/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
TBXAS1 P24557 2/20 0.40
MAPK8 P45983 1/20 0.40
MAPK10 P53779 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
PTGER2 P43116 7/20 0.39
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
WNT3A P56704 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
SCHEMBL5050272 0.89 TBXAS1 (0.53) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5048027 0.85 PTGER2 (0.44) TDP1PTGER2ALDH1A1MAPK1KMT2A
SCHEMBL5046415 0.79 PTGER2 (0.44) TDP1PTGER2
SCHEMBL5046626 0.73 PTGER2 (0.46) PTGER2
SCHEMBL5046659 0.72 TBXAS1 (0.50) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5043099 0.71 PTGER2 (0.50) TDP1PTGER2
SCHEMBL9310898 0.71 HTT (0.61) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL5046373 0.70 PTGER2 (0.61) PTGER2
SCHEMBL5043275 0.69 PTGER2 (0.46) PTGER2
SCHEMBL5048240 0.69 TLR7 (0.44) FNTAFNTBPGGT1BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442702-B2 Treatment of bone disorders; carboxy derivatives PFIZER INC. (US) 2008-10-28 US disclosed
EP-1021410-B1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER (US) 2006-12-27 EP disclosed
US-6498172-B1 (3-(((4-TERT-BUTYL-BENZYL)-(PYRIDINE-3-SULFONYL)-AMINO)-METHYL) -PHENOXY)-ACETIC ACID OR SALT; TREATING SUCH AS OSTEOPOROSIS PFIZER INC. 2002-12-24 US disclosed
EP-1021410-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 2000-07-26 EP disclosed
WO-1999019300-A1 PROSTAGLANDIN AGONISTS AND THEIR USE TO TREAT BONE DISORDERS PFIZER INC. (US) 1999-04-22 WO disclosed