SCHEMBL7566091

SCHEMBL7566091

O=C(O)c1ccc2ccc3ncncc3c2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
KMT2A Q03164 2/20 0.45
MGAM O43451 1/20 0.41
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
MMP2 P08253 4/20 0.38
ALOX15 P16050 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK2A2 P19784 3/20 0.36
CSNK2A1 P68400 2/20 0.36
CSNK2B P67870 1/20 0.36
TSHR P16473 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
P4HA1 P13674 1/20 0.36
MIF P14174 1/20 0.36

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
SCHEMBL6260367 0.78 ALOX15 (0.50) KDM4EKMT2AMGAMMEN1LMNA
SCHEMBL9756635 0.78 MGAM (0.55) KDM4EKMT2AMGAMMEN1LMNA
SCHEMBL2450006 0.77 MGAM (0.47) KDM4EKMT2AMGAMMEN1LMNA
SCHEMBL1094226 0.76 LMNA (0.59) KDM4EKMT2AMGAMMEN1LMNA
SCHEMBL1088781 0.73 KDM4E (0.67) KDM4EKMT2AMGAMMEN1LMNA
SCHEMBL30432091 0.72 EGFR (0.47) LMNACSNK2A1
SCHEMBL1096307 0.72 EGFR (0.47) LMNACSNK2A1
SCHEMBL5564401 0.71 KDM4E (0.56) KDM4EKMT2AMGAMMEN1LMNA
Hydrochloric Acid SCHEMBL10553456 0.71 KDM4E (0.64) KDM4EKMT2AMGAMMEN1LMNA
Benzene SCHEMBL27872024 0.71 KDM4E (0.70) KDM4EKMT2AMGAMMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1203586-A2 Compositions comprising a mast cell degranulation-blocking agent for treatment of endogenous, painful gastrointestinal conditions of non-inflammatory, non-ulcerative origin. KOS PHARMACEUTICALS, INC. (US) 2002-05-08 EP disclosed
EP-0618796-B1 ALLEVIATING OR PREVENTION OF MIGRAINE HEADACHE ONSET WITH MAST CELL DEGRANULATION BLOCKING AGENTS KOS PHARMA INC (US) 1999-05-06 EP disclosed
US-5648355-A MAST CELL DEGRANULATION-BLOCK AGENTS KOS PHARMACEUTICAL, INC. (US) 1997-07-15 US disclosed
US-5250529-A Administering during prodrome phase in absence of analgesic KOS PHARMACEUTICALS, INC. (US) 1993-10-05 US disclosed