SCHEMBL7991528

SCHEMBL7991528

CCC/C(=C\S(=O)(=O)c1ccc(C(=O)c2ccncc2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 2/20 0.43
MEN1 O00255 1/20 0.41
LMNA P02545 2/20 0.39
LTA4H P09960 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38
TUBB2B Q9BVA1 1/20 0.38
TUBB1 Q9H4B7 1/20 0.38

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
SCHEMBL7991531 1.00 KMT2A (0.43) KMT2ANPSR1MEN1LMNALTA4H
SCHEMBL7991252 0.95 KMT2A (0.39) KMT2ANPSR1MEN1LMNALTA4H
SCHEMBL7985352 0.79 TLR9 (0.46) KMT2ANPSR1MEN1LMNAL3MBTL1
SCHEMBL7985344 0.79 TLR9 (0.46) KMT2ANPSR1MEN1LMNAL3MBTL1
SCHEMBL7988239 0.79 ALDH1A1 (0.47) NPSR1L3MBTL1ALDH1A1PKMRECQL
SCHEMBL7988245 0.79 ALDH1A1 (0.47) NPSR1L3MBTL1ALDH1A1PKMRECQL
SCHEMBL7984321 0.76 HTT (0.49) KMT2ANPSR1MEN1PKMHTT
SCHEMBL7984313 0.76 HTT (0.49) KMT2ANPSR1MEN1PKMHTT
SCHEMBL7985039 0.67 MMP1 (0.56) KMT2ANPSR1MEN1LMNALTA4H
SCHEMBL7973747 0.66 ALDH1A1 (0.42) NPSR1LMNAL3MBTL1ALDH1A1RECQL

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-6274758-B1 ENANTIOMORPH SELECTIVITY DARWIN DISCOVERY, LTD. (GB) 2001-08-14 US disclosed