SCHEMBL7768376

SCHEMBL7768376

CCOC(=O)Cc1cc(CC#N)ccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
HTT P42858 1/20 0.37
GAA P10253 1/20 0.37
CDC7 O00311 1/20 0.37
DBF4 Q9UBU7 1/20 0.37
TBXAS1 P24557 1/20 0.37
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
NFKB1 P19838 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
SCHEMBL7771281 0.86 CYP4F2 (0.44) KDM4EALDH1A1MAPTPOLBGAA
SCHEMBL7763579 0.82 CDC7 (0.42) KDM4EMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3548646 0.79 TDP1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL7767277 0.78 GABRP (0.39) KMT2A
SCHEMBL13653554 0.78 CDC7 (0.49) MEN1KMT2AMAPTPOLBSMN1; SMN2
SCHEMBL31604246 0.77 SMN1; SMN2 (0.47) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL30163570 0.77 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL19915712 0.77 MAPT (0.46) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL9952026 0.77 MEN1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL15709664 0.77 NOS1 (0.44) KDM4EMEN1KMT2AALDH1A1MAPT

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-0846687-B1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors LILLY CO ELI (US) 2001-08-08 EP disclosed
US-5972972-A FOR TREATMENT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA-INDUCED SHOCK, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1999-10-26 US disclosed
WO-1998024437-A1 PYRAZOLES AS HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2 INHIBITORS ELI LILLY AND COMPANY (US) 1998-06-11 WO disclosed
EP-0846687-A1 Pyrazoles as human non-pancreatic secretory phospholipase A2 inhibitors ELI LILLY AND COMPANY (US) 1998-06-10 EP disclosed