SCHEMBL11828705

SCHEMBL11828705

CSc1ccc(C(=O)C=C(C)c2ccc(SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
LMNA P02545 3/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
GAA P10253 1/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
HTT P42858 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
PLK1 P53350 1/20 0.48
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43

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
Hydrochloric Acid SCHEMBL11815796 0.98 MAPT (0.49) MAPTMEN1KMT2ALMNAALDH1A1
Hydrochloric Acid SCHEMBL11815797 0.98 MAPT (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL6938029 0.85 NR4A1 (0.56) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL9210472 0.82 MAPT (0.67) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3867884 0.79 MAPT (0.49) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL3047673 0.78 PLK1 (0.59) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL15784370 0.78 ALDH1A1 (0.61) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL23158247 0.76 ALDH5A1 (0.57) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL11822730 0.76 ALDH1A1 (0.53) MAPTMEN1KMT2ALMNAALDH1A1
SCHEMBL29629277 0.76 MAPT (0.63) MAPTALDH1A1SMN1; SMN2KDM4EPOLB

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-3931152-A ANTITUBERCULAR AMERICAN CYANAMID COMPANY (US) 1976-01-06 US disclosed