SCHEMBL7516248

SCHEMBL7516248

Cc1ccccc1NC(=O)Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 1.00
RAB9A P51151 3/20 0.63
ALDH1A1 P00352 3/20 0.63
ALOX12 P18054 1/20 0.62
POLB P06746 2/20 0.61
NPC1 O15118 2/20 0.59
EPHX2 P34913 1/20 0.59
CRHBP P24387 1/20 0.58
NPBWR1 P48145 1/20 0.58
CRHR2 Q13324 1/20 0.58
MCHR1 Q99705 1/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
LMNA P02545 2/20 0.58
KDM4E B2RXH2 2/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 1/20 0.58
ATM Q13315 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HTT P42858 1/20 0.57
HDAC3 O15379 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
SCHEMBL13536561 0.88 HPGD (0.79) HPGDALDH1A1ALOX12POLBEPHX2
SCHEMBL9849440 0.84 HPGD (0.73) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL12700241 0.83 HPGD (0.70) HPGDRAB9AALOX12NPC1SMN1; SMN2
SCHEMBL29844215 0.83 POLB (0.80) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL8440269 0.83 POLB (0.80) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL29528561 0.83 RAB9A (0.73) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL2005846 0.83 RAB9A (0.73) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL13541545 0.82 HPGD (0.70) HPGDALDH1A1ALOX12POLBEPHX2
SCHEMBL11182704 0.81 RAB9A (0.72) HPGDRAB9AALDH1A1ALOX12POLB
SCHEMBL29389339 0.81 RAB9A (0.72) HPGDRAB9AALDH1A1ALOX12POLB

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
CN-115403515-B Preparation method and application of pirenzenenaphthalene degradation impurity 山东达因海洋生物制药股份有限公司 2023-09-08 CN claimed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US claimed
CN-115403515-B Preparation method and application of pirenzenenaphthalene degradation impurity 山东达因海洋生物制药股份有限公司 2023-09-08 CN disclosed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US disclosed
US-20020045548-A1 Heat-sensitive recording sheet SAITO CHEMICALS INSTITUTE CO., LTD. (JP) 2002-04-18 US disclosed