SCHEMBL6202553

SCHEMBL6202553

N#CCC(C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.50
ALDH1A1 P00352 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
RAB9A P51151 2/20 0.50
MITF O75030 2/20 0.50
HSD17B10 Q99714 1/20 0.50
HTT P42858 1/20 0.50
GFER P55789 1/20 0.50
PAX8 Q06710 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
CYP1A1 P04798 1/20 0.47
CYP19A1 P11511 1/20 0.47
PTPN1 P18031 6/20 0.43
MDM2 Q00987 1/20 0.42
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 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
SCHEMBL11630236 0.84 LMNA (0.55) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL5327981 0.83 CYP2C19 (0.52) LMNAALDH1A1SMN1; SMN2MAPK1CYP2C19
SCHEMBL31354947 0.83 CYP2C19 (0.52) LMNAALDH1A1SMN1; SMN2MAPK1CYP2C19
SCHEMBL8513332 0.80 EPHX1 (0.58) LMNAALDH1A1SMN1; SMN2TDP1NPSR1
SCHEMBL7580361 0.79 L3MBTL1 (0.59) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL27471428 0.78 CES1 (0.47) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL9903761 0.77 L3MBTL1 (0.57) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL11553198 0.76 MDM2 (0.47) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A
SCHEMBL5643025 0.76 KMT2A (0.53) LMNAALDH1A1TDP1
SCHEMBL23457200 0.76 L3MBTL1 (0.55) LMNAALDH1A1SMN1; SMN2L3MBTL1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050272036-A1 Ketones ASTRAZENECA AB (SE) 2005-12-08 US disclosed
EP-1549600-A1 KETONES AstraZeneca AB (SE) 2005-07-06 EP disclosed
WO-2004011410-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2004-02-05 WO disclosed
US-20030049807-A1 Micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities INSTITUTO BIOCHIMICO ITALIANO GIOVANNI LOREZINI S.P.A. (IT) 2003-03-13 US disclosed
EP-1291435-A2 A micro-organism possessing enantioselective and regioselective nitrile hydratase/amidase activities ISTITUTO BIOCHIMICO ITALIANO GIOVANNI LORENZINI S.p.A. (IT) 2003-03-12 EP disclosed
US-4014889-A Process for preparing ketones BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US disclosed