SCHEMBL6164978

SCHEMBL6164978

CC(C)C1CC(=O)c2c(C(C)(C)C)nn(-c3ccccc3)c2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSP90AA1 P07900 1/20 0.37
ATM Q13315 1/20 0.36
BUB1 O43683 2/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HIF1A Q16665 1/20 0.33
GRN P28799 1/20 0.33
SORT1 Q99523 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
RIPK1 Q13546 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
MAPK13 O15264 1/20 0.32
MAPK12 P53778 1/20 0.32
MAPK11 Q15759 1/20 0.32

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
SCHEMBL6777392 0.88 DHODH (0.36) DHODHBUB1
SCHEMBL7490727 0.88 L3MBTL1 (0.36) DHODHKMT2AALDH1A1SMN1; SMN2
SCHEMBL6770539 0.88 SRC (0.39) DHODHMEN1KMT2AHSP90AA1ALDH1A1
SCHEMBL6766674 0.86 RIPK2 (0.46) DHODHMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6164779 0.84 SMN1; SMN2 (0.44) DHODHBUB1ALDH1A1SMN1; SMN2CCNA2
SCHEMBL6164677 0.84 ABCG2 (0.41) MEN1KMT2AHSP90AA1ATMBUB1
SCHEMBL6167296 0.84 HIF1A (0.47) DHODHMEN1KMT2ABRD4ALDH1A1
SCHEMBL6164547 0.82 DHODH (0.43) DHODHMEN1KMT2ABUB1BRD4
SCHEMBL6162163 0.82 DHODH (0.41) DHODHMEN1KMT2ABUB1BRD4
SCHEMBL6168419 0.81 DHODH (0.42) DHODHMEN1KMT2ABUB1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1177185-B1 4, 5, 6, 7-TETRAHYDROINDAZOLE DERIVATIVES AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-04-20 EP disclosed
US-6716856-B1 CELL PROLIFERATIVE DISORDERS OR ALZHEIMER'S DISEASE; REDUCED TOXICITY; CDK/CYCLIN KINASE INHIBITORY ACTIVITY PHARMACIA & TUBJOHN SPA (IT) 2004-04-06 US disclosed