SCHEMBL11578043

SCHEMBL11578043

CCS(=O)(=O)CN1C(=O)CN=C(c2ccccc2Cl)c2cc(Cl)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 5/20 0.66
LMNA P02545 1/20 0.64
OPRK1 P41145 4/20 0.56
KCNH2 Q12809 2/20 0.56
HTR1A P08908 1/20 0.56
DRD3 P35462 1/20 0.56
HTR3A P46098 1/20 0.56
GHSR Q92847 1/20 0.56
MAPT P10636 2/20 0.54
MEN1 O00255 1/20 0.54
USP2 O75604 1/20 0.54
KMT2A Q03164 1/20 0.54
NR1I2 O75469 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
OPRM1 P35372 1/20 0.52
GABRA1 P14867 5/20 0.51
GABRA5 P31644 5/20 0.51
GABRA2 P47869 5/20 0.51
GABRG2 P18507 4/20 0.51
GABRB3 P28472 4/20 0.51

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
SCHEMBL11576870 0.93 TP53 (0.63) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11581279 0.91 TP53 (0.58) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11579807 0.90 TP53 (0.67) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11578948 0.90 OPRK1 (0.71) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11577333 0.90 TP53 (0.64) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11580068 0.88 OPRK1 (0.67) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11579769 0.88 TP53 (0.62) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11769344 0.88 TP53 (0.72) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11578005 0.87 OPRK1 (0.55) TP53LMNAOPRK1KCNH2HTR1A
SCHEMBL11578416 0.86 GABRA1 (0.54) TP53LMNAOPRK1KCNH2HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4079053-A Benzodiazepine derivatives SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1978-03-14 US disclosed
US-4010154-A Benzodiazepinones SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-03-01 US disclosed