SCHEMBL4067173

SCHEMBL4067173

O=C(CCc1ccccc1)NCc1ccccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 1.00
ALOX15 P16050 1/20 1.00
TDP1 Q9NUW8 1/20 1.00
POLB P06746 3/20 0.73
SMN1; SMN2 Q16637 3/20 0.69
MEN1 O00255 4/20 0.66
KMT2A Q03164 4/20 0.66
ATM Q13315 1/20 0.66
GAA P10253 1/20 0.65
CYP1A2 P05177 2/20 0.61
CYP3A4 P08684 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ENPP2 Q13822 1/20 0.61
ALDH1A1 P00352 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.60
RAB9A P51151 2/20 0.60
MAPT P10636 2/20 0.59
GLA P06280 1/20 0.59
CYP2D6 P10635 1/20 0.57

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
SCHEMBL450515 0.86 HPGD (0.73) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL30562867 0.85 HPGD (0.74) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL16353932 0.84 SMN1; SMN2 (0.83) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL28478191 0.84 POLB (1.00) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL23080118 0.83 HPGD (0.70) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL12125320 0.83 SMN1; SMN2 (0.80) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL12845344 0.82 ALOX15 (0.69) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL9385223 0.82 SMN1; SMN2 (1.00) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL1690435 0.81 HPGD (0.68) HPGDALOX15TDP1POLBSMN1; SMN2
SCHEMBL6665224 0.81 HPGD (0.68) HPGDALOX15TDP1POLBSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014111113-A1 ACYLGUANIDINES FOR TREATING OSTEOARTHRITIS MERCK PATENT GMBH (DE) 2014-07-24 WO disclosed
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed
US-7060752-B2 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY (US) 2006-06-13 US disclosed
US-20040087726-A1 Synthesis and use of nitrophenol resins NEW YORK UNIVERSITY 2004-05-06 US disclosed