SCHEMBL11161985

SCHEMBL11161985

COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.70
KMT2A Q03164 6/20 0.63
GAA P10253 5/20 0.63
MEN1 O00255 5/20 0.63
ALDH1A1 P00352 5/20 0.63
MAPT P10636 3/20 0.63
LMNA P02545 1/20 0.60
KDM4E B2RXH2 1/20 0.59
POLB P06746 1/20 0.59
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
NPSR1 Q6W5P4 1/20 0.58

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
SCHEMBL10889701 0.87 MAPK1 (0.72) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL11159073 0.86 EPHX1 (0.69) EPHX1ALDH1A1MAPTLMNAKDM4E
SCHEMBL16119683 0.86 EPHX1 (0.81) EPHX1KMT2AGAAMEN1ALDH1A1
SCHEMBL5453018 0.85 GAA (0.65) KMT2AGAAMEN1ALDH1A1MAPT
SCHEMBL5444538 0.85 EPHX1 (0.57) EPHX1KMT2AGAAMEN1ALDH1A1
SCHEMBL11166525 0.85 SMN1; SMN2 (0.68) EPHX1ALDH1A1MAPTLMNAPOLB
SCHEMBL3056803 0.84 P2RX4 (0.62) EPHX1KMT2AALDH1A1NPC1RAB9A
SCHEMBL17610005 0.84 EPHX1 (0.66) EPHX1KMT2AMEN1ALDH1A1MAPT
SCHEMBL11166422 0.83 EPHX1 (0.76) EPHX1KMT2AGAAMEN1ALDH1A1
SCHEMBL17891689 0.83 ALDH1A1 (0.69) EPHX1KMT2AMEN1ALDH1A1MAPT

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-4414211-A HYPOGLYCEMIC/- MCNEILAB, INC. (US) 1983-11-08 US disclosed