SCHEMBL14439868

SCHEMBL14439868

CC(C)c1nc(CO)n(Cc2ccc(C=O)cc2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
P2RX3 P56373 2/20 0.32
TYR P14679 1/20 0.31

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
SCHEMBL14439855 0.87 TDP1 (0.33) DCTPP1TDP1P2RX3
SCHEMBL6971451 0.86 HSP90B1 (0.33) TDP1P2RX3
SCHEMBL6966848 0.86 TDP1 (0.42) TDP1
SCHEMBL14439871 0.86 P2RX3 (0.33) DCTPP1P2RX3
SCHEMBL5852651 0.85 KCNH2 (0.35) TDP1
SCHEMBL6972194 0.84 NPC1 (0.41) P2RX3
SCHEMBL6961345 0.84 L3MBTL1 (0.39) P2RX3
Hydrochloric Acid SCHEMBL6973616 0.84 CCR9 (0.37) TDP1
SCHEMBL6969568 0.83 P2RX3 (0.37) TDP1P2RX3
SCHEMBL14439870 0.83 P2RX3 (0.43) DCTPP1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed