SCHEMBL7876613

SCHEMBL7876613

NNC(=O)Cn1ccc2ccccc21

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.65
NTSR1 P30989 1/20 0.56
LMNA P02545 1/20 0.55
KDM4E B2RXH2 1/20 0.55
NPC1 O15118 1/20 0.55
IDO1 P14902 1/20 0.53
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
MAPK1 P28482 1/20 0.51
GLS O94925 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MGLL Q99685 1/20 0.49
CCNE1 P24864 1/20 0.49
CDK2 P24941 1/20 0.49
CDK5 Q00535 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
SCHEMBL12881193 0.84 LMNA (0.69) KMT2ALMNAKDM4ECDK4CCND1
SCHEMBL2593474 0.83 KMT2A (0.65) KMT2ANTSR1LMNAIDO1CDK4
SCHEMBL3307080 0.82 KMT2A (0.68) KMT2ANTSR1LMNAKDM4EIDO1
SCHEMBL5051883 0.81 LMNA (0.61) KMT2ALMNACDK4CCND1MAPK1
SCHEMBL29955957 0.81 KMT2A (0.71) KMT2ANTSR1LMNAIDO1CDK4
SCHEMBL1519806 0.81 KMT2A (0.71) KMT2ANTSR1LMNAIDO1CDK4
SCHEMBL6138108 0.80 KMT2A (0.69) KMT2ANTSR1LMNAKDM4EIDO1
SCHEMBL12605550 0.80 KMT2A (0.59) KMT2ANTSR1LMNAKDM4EIDO1
SCHEMBL29035968 0.80 KDM4E (0.52) KMT2ALMNAKDM4ENPC1HSD17B10
SCHEMBL1598786 0.79 KMT2A (1.00) KMT2ANTSR1LMNAKDM4ECDK4

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
EP-0772592-A4 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS LILLY CO ELI (US) 1998-07-08 EP claimed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US claimed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP claimed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO claimed
US-6325991-B1 Methods and compositions for treating periodontal disease with an inhibitor of secretory phospholipase A2 DRAHEIM SUSAN E (US) 2001-12-04 US disclosed