SCHEMBL7962176

SCHEMBL7962176

CCCCCCCCc1ccc(Nc2cc(=O)[nH]c(SC)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ UNG P13051 7/20 0.57
▸ TP53 P04637 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ HPGD P15428 1/20 0.52
▸ XBP1 P17861 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.52
▸ GPR84 Q9NQS5 7/20 0.42
▸ LMNA P02545 1/20 0.42
▸ POLA1 P09884 2/20 0.41
▸ POLB P06746 1/20 0.41

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 0.74 TP53 (0.53) UNGTP53MAPTHPGDXBP1
SCHEMBL2416578 0.74 LMNA (0.50) UNGTP53MAPTHSD17B10LMNA
SCHEMBL10156550 0.74 POLB (0.48) MAPTLMNAPOLB
SCHEMBL10156704 0.73 ROCK1 (0.45) MAPTHPGDSMN1; SMN2POLB
SCHEMBL1506784 0.73 UNG (1.00) UNGGPR84
SCHEMBL7950536 0.73 UNG (1.00) UNGGPR84
SCHEMBL7962222 0.73 UNG (1.00) UNGGPR84
SCHEMBL7951048 0.71 UNG (0.75) UNGTP53MAPTHPGDXBP1
SCHEMBL7962178 0.71 UNG (0.49) UNGTP53MAPTHPGDXBP1
SCHEMBL1266331 0.70 STK17A (0.54) UNGTP53HSD17B10LMNAPOLA1

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
Send feedback