SCHEMBL11073635

SCHEMBL11073635

O=C1CC2(Cc3ccc(Br)cc3C2)C(=O)N1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 3/20 0.47
CMA1 P23946 1/20 0.46
AHR P35869 1/20 0.46
BRD4 O60885 1/20 0.38
METAP1 P53582 1/20 0.38
PARP10 Q53GL7 2/20 0.37
PARP11 Q9NR21 1/20 0.37
PARP1 P09874 1/20 0.37
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
PNMT P11086 1/20 0.36
ASIC3 Q9UHC3 1/20 0.36
CALCRL Q16602 1/20 0.35
AKR1B1 P15121 1/20 0.34

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
SCHEMBL19586472 0.89 TDP2 (0.44) TDP2CMA1AHRBRD4METAP1
SCHEMBL11071163 0.89 TDP2 (0.44) TDP2CMA1AHRBRD4METAP1
SCHEMBL15935912 0.81 ADRA2A (0.41) METAP1PARP10PARP11PARP1CALCRL
SCHEMBL9958538 0.80 TDP2 (0.46) TDP2CMA1AHRBRD4METAP1
SCHEMBL260407 0.79 CA9 (0.45) TDP2PARP1CALCRL
SCHEMBL259592 0.77 CRBN (0.44) TDP2AHRCALCRL
SCHEMBL13062459 0.76 PARP1 (0.40) PARP1CALCRL
SCHEMBL11072700 0.76 OTUD7B (0.48) TDP2METAP1
SCHEMBL13015179 0.76 KIF11 (0.36) TDP2CALCRL
SCHEMBL1727271 0.75 TDP2 (0.42) TDP2CMA1AHRBRD4METAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471124-A DIABETIC COMPLICATIONS PFIZER INC. (US) 1984-09-11 US disclosed
US-4442114-A COMPLICATIONS OF DIABETES PFIZER INC. (US) 1984-04-10 US disclosed
US-4307108-A DIABETES PFIZER INC. (US) 1981-12-22 US disclosed