SCHEMBL6702073

SCHEMBL6702073

CC1C(=O)N(c2ccc(Cl)cc2)C(=S)N1c1ccc(N2CCOCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD51 Q06609 1/20 0.49
AKR1C3 P42330 1/20 0.46
MAPT P10636 8/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PRKDC P78527 1/20 0.41
KIF11 P52732 2/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
ALOX12 P18054 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PARP1 P09874 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL6704097 0.89 KIF11 (0.53) RAD51AKR1C3MAPTSMN1; SMN2KIF11
SCHEMBL6702824 0.89 KIF11 (0.53) RAD51AKR1C3MAPTSMN1; SMN2KIF11
SCHEMBL6704444 0.88 ALDH1A1 (0.51) AKR1C3MAPTSMN1; SMN2KIF11ALDH1A1
SCHEMBL6703556 0.88 MAPT (0.46) AKR1C3MAPTSMN1; SMN2KIF11ALDH1A1
SCHEMBL6699022 0.88 KIF11 (0.54) MAPTPRKDCKIF11ALDH1A1HPGD
SCHEMBL6703729 0.88 PARP1 (0.42) MAPTSMN1; SMN2KIF11ALDH1A1HPGD
SCHEMBL6703990 0.85 ALDH1A1 (0.51) AKR1C3MAPTSMN1; SMN2PRKDCALDH1A1
SCHEMBL6705448 0.85 ALDH1A1 (0.42) MAPTSMN1; SMN2KIF11ALDH1A1HPGD
SCHEMBL6703161 0.84 RAD51 (0.50) RAD51MAPTKIF11ALDH1A1GAA
SCHEMBL6704313 0.83 AKR1C3 (0.50) AKR1C3MAPTSMN1; SMN2ALDH1A1GAA

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-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed