SCHEMBL13637495

SCHEMBL13637495

COc1ccc(-n2nc(C(=O)N3CCCCC3C)cc2-c2ccccc2)cn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
TSHR P16473 2/20 0.47
TP53 P04637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RPA1 P27694 2/20 0.46
SCD O00767 1/20 0.46
SCD5 Q86SK9 1/20 0.46
MGLL Q99685 5/20 0.46
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
GABRA5 P31644 1/20 0.42

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
SCHEMBL2919458 0.89 MGLL (0.46) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2917722 0.89 SCD (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2912065 0.88 MGLL (0.45) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2914583 0.87 MGLL (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2918717 0.87 SCD (0.43) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL2911362 0.87 SCD (0.43) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL13637496 0.86 MGLL (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL13212909 0.86 MGLL (0.44) HPGDNPSR1KDM4EALDH1A1LMNA
SCHEMBL5265982 0.86 SCD5 (0.43) HPGDNPSR1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL2918326 0.86 MGLL (0.43) HPGDNPSR1KDM4EALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 US disclosed