SCHEMBL8073672

SCHEMBL8073672

COc1cccc2nc(C(F)(F)F)nc(Cl)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.51
HPGD P15428 3/20 0.46
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
DCPS Q96C86 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
APAF1 O14727 1/20 0.43
USP2 O75604 1/20 0.43
POLB P06746 1/20 0.43
BLM P54132 1/20 0.43
ACHE P22303 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NQO2 P16083 2/20 0.41
KCNA5 P22460 1/20 0.41
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL25379787 0.83 ELANE (0.52) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL30402764 0.82 ELANE (0.51) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL8071066 0.82 ELANE (0.51) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL25337884 0.82 ELANE (0.51) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL25382306 0.81 ELANE (0.50) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL8068675 0.80 ELANE (0.48) ELANEHPGDKDM4EALDH1A1MEN1
SCHEMBL30402363 0.79 ALDH1A1 (0.53) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL1478324 0.79 ALDH1A1 (0.53) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL25383709 0.78 ELANE (0.51) ELANEHPGDKDM4EALDH1A1DCPS
SCHEMBL25385120 0.78 ELANE (0.48) ELANEHPGDKDM4EALDH1A1DCPS

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-6150372-A IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES; BLOCKING INTRACELLULAR SIGNAL TRANSDUCTION AND ACTIVATION OF TRANSCRIPTION FACTORS; KINASE INHIBITORS; ANTIARTHRITIC, ISCHEMIC AGENTS, MULTIPLE SCLEROSIS, TRANSPLANT REJECTION SIGNAL PHARMACEUTICALS, INC. (US) 2000-11-21 US disclosed
US-5939421-A TREATMENT OF IMMUNOINFLAMMATORY AND AUTOIMMUNE DISEASES SUCH AS RHEUMATOID ARTHRITIS, TRANSPLANT REJECTION; INHIBIT KINASE(S) THAT REGULATE ACTIVATION OF TRANSCRIPTION FACTORS TO PREVENT PRODUCTION OF INFLAMMATORY PROTEINS SIGNAL PHARMACEUTICALS, INC. (US) 1999-08-17 US disclosed
WO-1999001441-A1 QUINAZOLINE ANALOGS AND RELATED COMPOUNDS AND METHODS FOR TREATING INFLAMMATORY CONDITIONS SIGNAL PHARMACEUTICALS, INC. (US) 1999-01-14 WO disclosed