SCHEMBL14439870

SCHEMBL14439870

COC(=O)c1ccc(Cn2c(CO)nc(C(C)C)c2Sc2cc(Cl)cc(Cl)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.43
DRD2 P14416 9/20 0.43
TBXA2R P21731 8/20 0.43
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
DCTPP1 Q9H773 1/20 0.38
TLR8 Q9NR97 1/20 0.37
TLR7 Q9NYK1 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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 0.85 TDP1 (0.33) P2RX3DCTPP1
SCHEMBL6971451 0.84 HSP90B1 (0.33) P2RX3TP53
SCHEMBL6966848 0.84 TDP1 (0.42) GAATLR7TP53MAPT
SCHEMBL14439868 0.83 DCTPP1 (0.34) P2RX3DCTPP1
SCHEMBL5852651 0.83 KCNH2 (0.35)
Hydrochloric Acid SCHEMBL6973616 0.81 CCR9 (0.37) DRD2TBXA2RLMNATP53
SCHEMBL14002294 0.80 CCR9 (0.32)
Hydrochloric Acid SCHEMBL6962246 0.79 TDP1 (0.31)
SCHEMBL6970372 0.79 CCR2 (0.43) LMNAMAPT
SCHEMBL6970704 0.78

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