SCHEMBL9809074

SCHEMBL9809074

CCn1c(C)c(SS)c(=O)n1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.47
LMNA P02545 3/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.39
CYP2D6 P10635 1/20 0.39
NOTUM Q6P988 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
ELANE P08246 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
PRKCA P17252 1/20 0.36

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
SCHEMBL9809070 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL9809076 0.82 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL9809121 0.78 POLB (0.40) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL9809118 0.65 POLB (0.42) KMT2AMEN1ALDH1A1LMNANPSR1
SCHEMBL15268809 0.64 ALDH1A1 (0.49) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL17264297 0.63 BCHE (0.54) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL7828945 0.63 LMNA (0.49) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL9809069 0.63 ALOX15 (0.58) KMT2AMEN1ALDH1A1LMNAKDM4E
SCHEMBL7821723 0.62 LMNA (0.50) ALDH1A1LMNAKDM4EMAPTSMN1; SMN2
SCHEMBL13562506 0.61 MEN1 (0.55) KMT2AMEN1ALDH1A1LMNAKDM4E

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-5063245-A Hormone inhibitors NOVA PHARMACEUTICAL CORPORATION (US) 1991-11-05 US disclosed