SCHEMBL2358699

SCHEMBL2358699

N#Cc1ccccc1-c1c[nH]c2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 3/20 0.65
IMPDH1 P20839 1/20 0.65
SIRT2 Q8IXJ6 2/20 0.50
CDK4 P11802 2/20 0.50
PRKD3 O94806 1/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
ABL1 P00519 1/20 0.50
PRKCG P05129 1/20 0.50
PRKCB P05771 1/20 0.50
CDK1 P06493 1/20 0.50
PIM1 P11309 1/20 0.50
CCNB1 P14635 1/20 0.50
PRKCA P17252 1/20 0.50
PRKACA P17612 1/20 0.50
PRKACG P22612 1/20 0.50
PRKACB P22694 1/20 0.50
CCND1 P24385 1/20 0.50
PRKCH P24723 1/20 0.50
CCNE1 P24864 1/20 0.50

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
SCHEMBL30608285 1.00 IMPDH2 (0.65) IMPDH2IMPDH1SIRT2CDK4PRKD3
SCHEMBL31264046 1.00 IMPDH2 (0.65) IMPDH2IMPDH1SIRT2CDK4PRKD3
SCHEMBL28903106 0.81 EGFR (0.46) IMPDH2IMPDH1CDK4NR4A2ALDH1A1
SCHEMBL28485389 0.81 PTGES (0.51) IMPDH2IMPDH1CDK4CCNB2CCNE2
SCHEMBL28479715 0.81 MEN1 (0.44) IMPDH2IMPDH1NR4A2MAPTMEN1
SCHEMBL28479667 0.81 CSNK2A1 (0.52) IMPDH2IMPDH1CCNB2CDK1PIM1
SCHEMBL7096071 0.81 IMPDH2 (0.49) IMPDH2IMPDH1PRKCQPRKCD
SCHEMBL20562470 0.80 IMPDH2 (0.57) IMPDH2IMPDH1SIRT2CDK4PRKD3
SCHEMBL1202543 0.80 IMPDH2 (0.63) IMPDH2IMPDH1SIRT2CDK4PRKD3
SCHEMBL186741 0.79 IMPDH2 (1.00) IMPDH2IMPDH1SIRT2CDK4PRKD3

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
CN-111793069-B Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2021-05-18 CN disclosed
CN-111793069-B Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2021-05-18 CN disclosed
CN-111793069-A Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2020-10-20 CN disclosed
CN-111793069-A Method for efficiently preparing fused ring compound containing indole structural unit 清华大学 2020-10-20 CN disclosed
EP-2350090-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS Xenon Pharmaceuticals Inc. (CA) 2011-08-03 EP disclosed
WO-2010045251-A2 SPIRO-OXINDOLE COMPOUNDS AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS, INC. (CA) 2010-04-22 WO disclosed