SCHEMBL7979527

SCHEMBL7979527

CC1(C)C(=O)N(Cc2ccc(C#N)cc2)C(=O)c2cc(N)ccc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
PGR P06401 3/20 0.44
BACE1 P56817 3/20 0.38
ADRA1D P25100 2/20 0.38
ADRA1A P35348 2/20 0.38
ADRA1B P35368 2/20 0.38
MDM2 Q00987 3/20 0.37
ELANE P08246 1/20 0.37
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
CA2 P00918 1/20 0.36
BRD4 O60885 1/20 0.35
KLKB1 P03952 1/20 0.35
KLK1 P06870 1/20 0.35
HTR2C P28335 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 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
SCHEMBL7979619 0.83 TDP1 (0.48) TDP1PGRMDM2CA12CA9
SCHEMBL7979708 0.77 TDP1 (0.49) TDP1PGRBRD4HTR2C
SCHEMBL11735010 0.71 CASP1 (0.41) TDP1MAPT
SCHEMBL11729888 0.70 MAOB (0.40) TDP1MAPT
SCHEMBL7650360 0.70 NR1H2 (0.43) TDP1PGR
Hydrochloric Acid SCHEMBL11732130 0.69 TDP1 (0.40) TDP1MAPT
SCHEMBL9773598 0.68 ELANE (0.43) PGRELANE
SCHEMBL5784952 0.68 ADRA1D (0.64) ADRA1DADRA1AADRA1BMDM2CA12
SCHEMBL8122536 0.66 ALDH1A1 (0.53) MAPT
SCHEMBL13233765 0.66 ELANE (0.58) TDP1PGRELANEMAPT

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed