SCHEMBL10340593

SCHEMBL10340593

CCOC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1C#N

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MAPK1 P28482 1/20 0.57
HTT P42858 1/20 0.51
SLC5A1 P13866 1/20 0.47
SLC5A2 P31639 1/20 0.47
GABRA2 P47869 7/20 0.47
GABRB2 P47870 7/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
TSHR P16473 1/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6403718 0.85 ALDH1A1 (0.55) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL10340616 0.84 HTT (0.71) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL10678549 0.84 HTT (0.55) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL10394019 0.83 HTT (0.54) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL31117084 0.83 HTT (0.69) KMT2AMEN1MAPTHTTGABRA2
SCHEMBL10366535 0.82 GABRA2 (0.47) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL10340631 0.82 HTT (0.48) KMT2AMEN1KDM4EMAPTHTT
SCHEMBL10366062 0.82 CNR2 (0.50) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL10365691 0.82 LMNA (0.46) KMT2AMEN1KDM4EMAPTMAPK1
SCHEMBL10340634 0.82 HTT (0.53) KMT2AMEN1KDM4EMAPTMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0177242-B1 POLLEN FORMATION INHIBITING PYRAZOLES ELI LILLY AND COMPANY (US) 1990-01-03 EP disclosed
US-4775409-A PREVENTING POLLEN FORMATION ELI LILLY AND COMPANY (US) 1988-10-04 US disclosed
US-4666504-A HYBRIDS ELI LILLY AND COMPANY (US) 1987-05-19 US disclosed
EP-0177242-A2 Pollen formation inhibiting pyrazoles ELI LILLY AND COMPANY (US) 1986-04-09 EP disclosed