SCHEMBL7294486

SCHEMBL7294486

ClC/C=C/c1cncc(Br)c1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
POLB P06746 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRNB2 P17787 2/20 0.33
CHRNA4 P43681 2/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
PADI4 Q9UM07 1/20 0.32
CYP2A6 P11509 1/20 0.31
HTT P42858 2/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
PTK2 Q05397 1/20 0.30
ALOX15 P16050 1/20 0.30

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
SCHEMBL7294493 1.00 AKT1 (0.35) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL7293349 0.82 ALDH1A1 (0.40) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL8016620 0.82 CHRNB2 (0.39) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL7293345 0.82 ALDH1A1 (0.40) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL6558937 0.79 CHRNB2 (0.37) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL3016752 0.75 CHRNB2 (0.43) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL16196075 0.75 RAF1 (0.33) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL3016756 0.75 CHRNB2 (0.43) AKT1POLBHCAR2KDM4ECHRNB2
SCHEMBL5701203 0.75 CHRNB2 (0.61) AKT1KDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL16196077 0.75 RAF1 (0.33) AKT1POLBHCAR2KDM4ECHRNB2

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-0511865-B1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PROD (US) 1997-01-29 EP disclosed
US-5250700-A Phosphodiesterase inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 1993-10-05 US disclosed
US-5191084-A PHENYL PYRAZOLIDINONES AS BRONCHODILATORS AND ANTI-INFLAMMATORY AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-03-02 US disclosed
EP-0511865-A1 Phenyl pyrazolidinones as bronchodilators and anti-inflammatory agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-04 EP disclosed