SCHEMBL7654411

SCHEMBL7654411

C=Cc1ccc(S(=O)(=O)NC(=O)c2ccc3cc(C)n(Cc4ccc(-c5ccccc5)cc4Cl)c3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 15/20 0.44
MCL1 Q07820 15/20 0.44
FLT1 P17948 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
PPARG P37231 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
HDAC9 Q9UKV0 1/20 0.39
CCR2 P41597 1/20 0.38

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
SCHEMBL7649091 0.88 PPARG (0.53) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL6306639 0.83 SLC22A12 (0.45) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL5882017 0.82 CCR2 (0.48) FLT1FLT4KDRPPARGHDAC1
SCHEMBL7652979 0.79 PPARG (0.53) PPARGHDAC1HDAC2HDAC8HDAC6
SCHEMBL7652972 0.79 PPARG (0.53) PPARGHDAC1HDAC2HDAC8HDAC6
SCHEMBL6299641 0.79 ALDH1A1 (0.39) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL6135129 0.79 PPARG (0.56) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL6298902 0.78 ALDH1A1 (0.38) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL6299626 0.78 FLT1 (0.37) BCL2L1MCL1FLT1FLT4KDR
SCHEMBL7650293 0.77 PPARG (0.65) FLT1FLT4KDRPPARGHDAC1

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
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