SCHEMBL6578359

SCHEMBL6578359

Cc1ccc2[nH]cc(Cc3nc4cc(C(F)(F)F)ccc4s3)c2c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 10/20 0.57
AKR1A1 P14550 5/20 0.57
PCSK9 Q8NBP7 1/20 0.42
KIF11 P52732 2/20 0.42
ILK Q13418 1/20 0.42
HTR1D P28221 1/20 0.41
HTR2A P28223 1/20 0.41
DYRK1A Q13627 1/20 0.38
AKR1B10 O60218 1/20 0.37
GLO1 Q04760 1/20 0.37
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
CDK4 P11802 1/20 0.36
CCND1 P24385 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
SCHEMBL6575533 0.86 AKR1B1 (0.55) AKR1B1AKR1A1AKR1B10GLO1
SCHEMBL443712 0.73 AKR1B1 (1.00) AKR1B1AKR1A1
SCHEMBL17484182 0.71 NPC1 (0.58) AKR1B1AKR1A1ILKDYRK1AAKR1B10
SCHEMBL6575586 0.71 GPR84 (0.58) AKR1B1AKR1A1CDK4CCND1
SCHEMBL20964606 0.70 DYRK1A (0.49) AKR1B1AKR1A1ILKDYRK1AAKR1B10
SCHEMBL18383116 0.70 HTR1D (0.69) PCSK9HTR1DHTR2ACDK4CCND1
SCHEMBL6576362 0.70 AKR1A1 (0.56) AKR1B1AKR1A1PCSK9HTR1DHTR2A
SCHEMBL20254213 0.69 DYRK1A (0.50) AKR1B1AKR1A1ILKDYRK1AAKR1B10
SCHEMBL5632209 0.69 DYRK1A (0.50) AKR1B1AKR1A1ILKDYRK1AAKR1B10
SCHEMBL31744779 0.68 GPR84 (0.57) AKR1B1HTR2A

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
EP-1135124-B1 ANTIHYPERTRIGLYCERIDEMIC, ANTIHYPERGLYCEMIC, ANTI-ANGIOGENIC AND WOUND HEALING SUBSTITUDED INDOLEALKANOIC ACIDS INST FOR PHARM DISCOVERY INC (US) 2004-04-28 EP disclosed