SCHEMBL7811008

SCHEMBL7811008

COc1ccc2c(c1)n[c]n2C(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
FGFR1 P11362 4/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
PIK3CD O00329 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
NPC1 O15118 1/20 0.39
NQO2 P16083 1/20 0.39
RAB9A P51151 1/20 0.39
GAA P10253 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTR2C P28335 1/20 0.37
PIK3CA P42336 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL7818556 0.87 ALDH1A1 (0.40) TDP1ALDH1A1SMN1; SMN2PIK3CDMEN1
SCHEMBL3652546 0.78 TDP1 (0.44) TDP1FGFR1ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL7814439 0.77 TDP1 (0.41) TDP1FGFR1ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL17186982 0.77 HTR2C (0.35) MEN1KMT2AKDM4EHTR2C
SCHEMBL6669939 0.77 MAPT (0.41) TDP1FGFR1MEN1KMT2AKDM4E
SCHEMBL7805184 0.74 TDP1 (0.51) TDP1FGFR1ALDH1A1SMN1; SMN2PIK3CD
SCHEMBL25442341 0.73 TDP1 (0.47) TDP1ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL7815068 0.73 TDP1 (0.47) TDP1FGFR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL2361751 0.71 ALDH1A1 (0.55) TDP1FGFR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL18937429 0.69 FGFR1 (0.55) TDP1FGFR1ALDH1A1SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0745600-B1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO CO (JP) 2001-10-24 EP disclosed
US-5886014-A TREATMENT AND/OR PROPHYLAXIS OF A VARIETY OF DISORDERS, INCLUDING HYPERLIPEMIA, HYPERGLYCEMIA, OBESITY, IMPAIRED GLUCOSE TOLERANCE (IGT), INSULIN RESISTANCE AND DIABETIC COMPLICATIONS SANKYO COMPANY, LIMITED (JP) 1999-03-23 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed