SCHEMBL11316397

SCHEMBL11316397

O=C1NOC(c2cccs2)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 3/20 0.45
ALDH1A1 P00352 6/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.38
PARP1 P09874 4/20 0.37
POLB P06746 3/20 0.35
MAPT P10636 3/20 0.35
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT1 P31749 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL9522063 0.70 AKT1 (0.43) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11291525 0.69 CA2 (0.46) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10758397 0.68 CA2 (0.53) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL10244414 0.67 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL1269530 0.67 ALDH1A1 (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11105319 0.67 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL11105312 0.67 ALDH1A1 (0.49) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL2041571 0.65 KDM4E (0.42) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL9212615 0.64 KDM4E (0.41) KDM4EHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL31462136 0.63 ALDH1A1 (0.44) KDM4EHSD17B10ALDH1A1MEN1KMT2A

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-4288560-A Process for foaming plastics CIBA-GEIGY CORPORATION (US) 1981-09-08 US disclosed