SCHEMBL10535481

SCHEMBL10535481

O=C(O)CCc1ccc(Cc2ccccn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.58
KEAP1 Q14145 1/20 0.56
HPGD P15428 1/20 0.56
ALOX15 P16050 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
TBXAS1 P24557 2/20 0.55
L3MBTL1 Q9Y468 1/20 0.54
FFAR4 Q5NUL3 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 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
SCHEMBL333243 0.83 SMN1; SMN2 (0.62) FFAR1KEAP1HPGDALOX15TDP1
SCHEMBL29499090 0.83 SMN1; SMN2 (0.62) FFAR1KEAP1HPGDALOX15TDP1
Hydrochloric Acid SCHEMBL28672925 0.81 SMN1; SMN2 (0.60) FFAR1KEAP1HPGDALOX15TDP1
Hydrochloric Acid SCHEMBL4174816 0.81 SMN1; SMN2 (0.60) FFAR1KEAP1HPGDALOX15TDP1
SCHEMBL18906068 0.80 L3MBTL1 (0.57) KEAP1HPGDL3MBTL1SMN1; SMN2CYP1A2
SCHEMBL6643327 0.79 LMNA (0.69) HPGDALOX15TDP1L3MBTL1SMN1; SMN2
SCHEMBL2774503 0.79 FFAR1 (0.83) FFAR1KEAP1TBXAS1FFAR4SMN1; SMN2
SCHEMBL29373231 0.78 L3MBTL1 (0.68) ALOX15TDP1L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL64435 0.78 L3MBTL1 (0.68) ALOX15TDP1L3MBTL1SMN1; SMN2CYP1A2
Ethylene Glycol SCHEMBL11535314 0.78 SMN1; SMN2 (0.57) FFAR1KEAP1HPGDALOX15TDP1

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
US-4882433-A 3'-pyridinylalkylinden- and 3'-pyridinylalkylindol-2-carboxylic acids and analogs THE UPJOHN COMPANY (US) 1989-11-21 US disclosed
US-4767865-A 3'-pyridinylalkylinden- and 3'-pyridinylalkylindol-2-carboxylic acids and analogs THE UPJOHN COMPANY (US) 1988-08-30 US disclosed
EP-0247089-A1 3'-PYRIDINYLALKYLINDEN- AND 3'-PYRIDINYLALKYLINDOL-2-CARBOXYLIC ACIDS AND ANALOGS THE UPJOHN COMPANY (US) 1987-12-02 EP disclosed
WO-1987002664-A1 3'-PYRIDINYLALKYLINDEN- AND 3'-PYRIDINYLALKYLINDOL-2-CARBOXYLIC ACIDS AND ANALOGS THE UPJOHN COMPANY (US) 1987-05-07 WO disclosed