SCHEMBL9007576

SCHEMBL9007576

COC(=O)NC(=O)CC1=C(Cc2ccc3c(Br)cccc3c2)C(=O)CCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CTSD P07339 1/20 0.32
PKM P14618 1/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
SLC9A1 P19634 1/20 0.31
NQO1 P15559 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL9007517 0.84 AKR1B1 (0.41) MEN1KMT2ASLC9A1NQO1POLB
SCHEMBL9007535 0.83 LDHA (0.32) MEN1KMT2ACYP2C9HPGDCYP2C19
SCHEMBL9007494 0.76 NQO1 (0.39) PKMMAPTHPGDSLC9A1NQO1
SCHEMBL9007551 0.73 WDR5 (0.35) MAPTHPGDSLC9A1NQO1ALDH1A1
SCHEMBL9007552 0.71 GAA (0.40) KMT2AALDH1A1POLB
SCHEMBL9007525 0.71 AKR1B1 (0.41)
SCHEMBL9007571 0.68 NR1H4 (0.44) MEN1KMT2AMAPTCYP1A2HPGD
SCHEMBL9007599 0.67 NQO1 (0.30) NQO1
SCHEMBL9007566 0.66 AKR1B1 (0.42)
SCHEMBL27537426 0.63 AKR1B1 (0.60) MEN1KMT2AMAPTHPGDSLC9A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US claimed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US claimed
US-5482968-A ENZYME INHIBITORS, HYPOGLYCEMIC AGENTS AND VASCULAR AGENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-01-09 US disclosed
US-5399588-A Diabetes treatment AMERICAN HOME PRODUCTS CORPORATION (US) 1995-03-21 US disclosed