SCHEMBL9300549

SCHEMBL9300549

Cn1cc(-c2ccc(F)cc2)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.57
CCNE2 O96020 2/20 0.50
CDK4 P11802 2/20 0.50
CCND1 P24385 2/20 0.50
CCNE1 P24864 2/20 0.50
CDK2 P24941 2/20 0.50
PDK1 Q15118 1/20 0.49
GSK3B P49841 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ASH1L Q9NR48 1/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
HPGD P15428 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CCNT1 O60563 1/20 0.49

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
SCHEMBL1310255 0.85 IMPDH2 (0.64) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL4488408 0.84 IMPDH2 (0.58) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL28241926 0.82 IMPDH2 (0.57) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL28271167 0.81 IMPDH2 (0.53) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL28514472 0.81 GSK3B (0.55) CCNE2CDK4CCND1CCNE1CDK2
SCHEMBL31517702 0.79 HTR1A (0.51) GSK3BASH1L
SCHEMBL3131200 0.79 IMPDH2 (0.57) IMPDH2CCNE2CDK4CCND1CCNE1
SCHEMBL1878132 0.78 GSK3B (0.48) CDK2GSK3BRAB9ACCNT1CDK9
SCHEMBL31517746 0.78 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2CCNT1CDK9MEN1
SCHEMBL29941711 0.78 GSK3B (0.48) CDK2GSK3BRAB9ACCNT1CDK9

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
US-5354772-A Anticholesterol agents SANDOZ PHARM. CORP. (US) 1994-10-11 US disclosed
US-4739073-A ANTICHOLESTEROL AGENTS SANDOZ PHARMACEUTICALS CORP. (US) 1988-04-19 US disclosed
EP-0114027-B1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1988-01-07 EP disclosed
EP-0114027-A1 Analogs of mevalolactone and derivatives thereof, processes for their production, pharmaceutical compositions containing them and their use as pharmaceuticals SANDOZ AG (CH) 1984-07-25 EP disclosed
WO-1984002131-A1 ANALOGS OF MEVALOLACTONE AND DERIVATIVES THEREOF, PROCESSES FOR THEIR PRODUCTION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USE AS PHARMACEUTICALS SANDOZ AG (CH) 1984-06-07 WO disclosed