SCHEMBL7193541

SCHEMBL7193541

CCSc1nc2c(C)cc(OCc3c(C)cccc3C(=O)O)cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.39
RAB9A P51151 1/20 0.39
DHODH Q02127 8/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2E1 P05181 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C8 P10632 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2B6 P20813 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
PTPN1 P18031 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
SCHEMBL7197851 0.85 DHODH (0.40) DHODH
SCHEMBL7200557 0.85 DHODH (0.42) ALDH1A1HPGDDHODHCYP1A2SMN1; SMN2
SCHEMBL7197499 0.72 DHODH (0.55) DHODH
SCHEMBL7193533 0.69 ALDH1A1 (0.35) ALDH1A1TDP1MAPTNPC1HPGD
SCHEMBL16920917 0.67 SLC22A12 (0.53) ALDH1A1MAPTHPGDRAB9ACYP3A4
SCHEMBL3141899 0.66 MRGPRX4 (0.51) ALDH1A1NPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16920916 0.65 MRGPRX4 (0.60) NPC1RAB9A
SCHEMBL18831484 0.65 MRGPRX4 (0.50) ALDH1A1HPGD
SCHEMBL7133454 0.65 TSHR (0.44) ALDH1A1TDP1MAPTLMNA
SCHEMBL17788227 0.65 SLC22A12 (0.50) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004108686-A2 BENZIMIDAZOLE COMPOUNDS HAVING HYPOGLYCEMIC ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-12-16 WO disclosed