SCHEMBL7294402

SCHEMBL7294402

O=C(Nc1cnc(C(=O)Cc2cccnc2)[nH]c1=O)OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CHRNA7 P36544 1/20 0.43
ELANE P08246 1/20 0.41
HDAC3 O15379 3/20 0.41
HDAC1 Q13547 3/20 0.41
HDAC2 Q92769 3/20 0.41
CASP3 P42574 1/20 0.41
IDO1 P14902 1/20 0.41
HDAC4 P56524 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41

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
SCHEMBL7297119 0.92 NPC1 (0.48) POLBALDH1A1MAPTNPC1RAB9A
SCHEMBL8401224 0.91 POLB (0.52) NAMPTPOLBNPC1RAB9AHDAC3
SCHEMBL8403661 0.86 TRPV1 (0.46) POLBKMT2AMEN1MAPTNPC1
SCHEMBL7292933 0.86 MGLL (0.44) POLBKMT2ALMNAMEN1NPC1
SCHEMBL8405738 0.86 NPC1 (0.48) POLBLMNANPC1RAB9AELANE
SCHEMBL8401492 0.85 NPC1 (0.47) POLBKMT2ALMNAMEN1MAPT
SCHEMBL8401148 0.84 TACR3 (0.46) ALDH1A1MAPTNPC1RAB9AELANE
SCHEMBL8405271 0.83 NPC1 (0.53) POLBKMT2AMEN1ALDH1A1MAPT
SCHEMBL8405847 0.82 ELANE (0.45) KMT2AMEN1ALDH1A1MAPTNPC1
SCHEMBL7293112 0.82 HDAC3 (0.44) POLBMAPTNPC1RAB9AELANE

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-0528633-B1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LTD (GB) 2000-10-18 EP disclosed
US-5948785-A USEFUL AS CHYMASE INHIBITORS AND CAN BE EFFECTIVE FOR THE PROPHYLAXIS AND TREATMENT OF VARIOUS DISEASES CAUSED BY CHYMASE, SUCH AS THOSE CAUSED BY ANGIOTENSIN II. THE GREEN CROSS CORPORATION (JP) 1999-09-07 US disclosed
US-5254558-A Substituted 1,3-diazines as leukocyte elastase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-10-19 US disclosed
EP-0528633-A1 Pyrimidinyl acetamides as elastase inhibitors ZENECA LIMITED (GB) 1993-02-24 EP disclosed