SCHEMBL7962178

SCHEMBL7962178

CCCCCCCCc1ccc(Nc2cc(=O)n(S)c(C)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 7/20 0.49
▸ TP53 P04637 2/20 0.47
▸ MAPT P10636 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HPGD P15428 1/20 0.42
▸ XBP1 P17861 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ FAAH O00519 1/20 0.39
▸ MGLL Q99685 1/20 0.39
▸ THRA P10827 3/20 0.39
▸ THRB P10828 3/20 0.39
▸ SPHK1 Q9NYA1 4/20 0.39
▸ P2RX3 P56373 1/20 0.38
▸ POLA1 P09884 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
SCHEMBL5959250 0.78 TP53 (0.53) UNGTP53MAPTLMNAHPGD
SCHEMBL2416578 0.75 LMNA (0.50) UNGTP53MAPTLMNAHSD17B10
SCHEMBL1266331 0.71 STK17A (0.54) UNGTP53LMNAHSD17B10THRA
SCHEMBL1264648 0.71 STK17A (0.54) UNGTP53LMNAHSD17B10THRA
SCHEMBL9330419 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL
SCHEMBL9502209 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL
SCHEMBL284616 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL
SCHEMBL11699858 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL
SCHEMBL9330410 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL
SCHEMBL2391508 0.71 ESR1 (0.61) UNGTP53LMNAHSD17B10MGLL

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-6177437-B1 VIRICIDES UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER 2001-01-23 — — US disclosed
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