SCHEMBL7653693

SCHEMBL7653693

Cc1nc2ccc(NC(=O)OC(C)(C)C)cc2n1Cc1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.51
ACSS2 Q9NR19 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
BRD4 O60885 4/20 0.43
LMNA P02545 2/20 0.43
NPC1 O15118 1/20 0.43
ROCK2 O75116 1/20 0.42
CHEK2 O96017 1/20 0.42
PRKACA P17612 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PAK1 Q13153 1/20 0.42
ROCK1 Q13464 1/20 0.42
DYRK1A Q13627 1/20 0.42
PRKD2 Q9BZL6 1/20 0.42
P2RX3 P56373 2/20 0.42
IDO1 P14902 2/20 0.41
AGPAT2 O15120 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL6170220 0.89 MAPT (0.55) PPARGACSS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL7649076 0.83 PPARG (0.54) PPARGSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6495333 0.81 ALDH1A1 (0.44) PPARGACSS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6497514 0.80 ALDH1A1 (0.46) PPARGACSS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6503682 0.80 ALDH1A1 (0.43) ACSS2SMN1; SMN2ALDH1A1MAPTBRD4
SCHEMBL7654112 0.78 PPARG (0.55) PPARGSMN1; SMN2ALDH1A1MAPTLMNA
SCHEMBL6169794 0.77 PTGES (0.57) PPARGACSS2SMN1; SMN2ALDH1A1MAPT
SCHEMBL6170044 0.76 PPARG (0.64) PPARGACSS2SMN1; SMN2LMNANPC1
SCHEMBL7656289 0.76 PPARG (0.69) PPARGALDH1A1MAPTLMNANPC1
SCHEMBL5673971 0.76 PTGDR2 (0.40) ACSS2SMN1; SMN2ALDH1A1MAPTBRD4

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
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 EP disclosed