SCHEMBL7956598

SCHEMBL7956598

CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 2/20 0.57
L3MBTL1 Q9Y468 3/20 0.57
ATM Q13315 1/20 0.57
ALDH1A1 P00352 4/20 0.56
TSHR P16473 1/20 0.56
RAB9A P51151 1/20 0.54
CDK2 P24941 5/20 0.54
CDK1 P06493 1/20 0.54
CDK4 P11802 1/20 0.54
CDK7 P50613 1/20 0.54
CDK6 Q00534 1/20 0.54
CDK5 Q00535 1/20 0.54
KDM4E B2RXH2 1/20 0.53
LMNA P02545 1/20 0.53
AGTR1 P30556 1/20 0.53
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL7967327 0.81 MEN1 (0.67) MEN1KMT2AMAPTL3MBTL1ATM
SCHEMBL4257667 0.81 ALDH1A1 (0.72) MEN1KMT2AMAPTL3MBTL1ATM
SCHEMBL7965075 0.78 NPSR1 (0.77) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL977581 0.77 MEN1 (0.69) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL30864224 0.76 MEN1 (0.60) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL23928606 0.76 MAPT (0.84) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL6689594 0.76 L3MBTL1 (0.64) MEN1KMT2AMAPTL3MBTL1ATM
SCHEMBL28344092 0.75 ALDH1A1 (0.64) MEN1KMT2AMAPTL3MBTL1ALDH1A1
SCHEMBL22095232 0.75 AURKA (0.90) MEN1KMT2AMAPTALDH1A1RAB9A
SCHEMBL22095571 0.75 MEN1 (0.89) MEN1KMT2AMAPTALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6306883-B1 NOVEL PYRAZOLE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING A COMPOUND AND INHIBITING CYTOKINES BY A COMPOUND OF FORMULA (I) AND THE TREATMENT OF CYTOKINES MEDIATED DISEASES, SMITHKLINE BEECHAM CORPORATION 2001-10-23 US disclosed
US-5998425-A CYTOKINE ANTAGONIST; ANTIARTHRITIC AGENT SMITHKLINE BEECHAM CORPORATION (US) 1999-12-07 US disclosed
WO-1998025605-A1 SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 1998-06-18 WO disclosed