SCHEMBL9849525

SCHEMBL9849525

COc1ccc(NC(=S)C2CC2)cn1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
KMT2A Q03164 7/20 0.52
MEN1 O00255 6/20 0.52
PABPC1 P11940 4/20 0.52
MAPT P10636 1/20 0.51
RAB9A P51151 4/20 0.50
ALDH1A1 P00352 3/20 0.50
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 2/20 0.47

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
SCHEMBL10482836 0.82 KMT2A (0.51) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL41767 0.82 KMT2A (0.58) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL6846376 0.79 KMT2A (0.58) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL10417850 0.79 KMT2A (0.58) KDM4EKMT2AMEN1PABPC1MAPT
Cyclopropane SCHEMBL8126236 0.78 NPC1 (0.56) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL2397341 0.78 RAB9A (0.58) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL4130196 0.75 HTT (0.54) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL10416677 0.75 KDM4E (0.57) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL27954442 0.74 KDM4E (0.71) KDM4EKMT2AMEN1PABPC1MAPT
SCHEMBL5299753 0.74 KMT2A (0.50) KDM4EKMT2AMEN1PABPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0434357-A2 Fungicides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-06-26 EP disclosed
US-4895858-A Fungicidal pyridyl cyclopropane carboxamides ICI AMERICAS INC. (US) 1990-01-23 US disclosed
US-4808600-A Fungicidal pyridyl cyclopropane carboxamides STAUFFER CHEMICAL CO. (US) 1989-02-28 US disclosed
US-4766134-A Fungicidal pyridyl cyclopropane carboxamides STAUFFER CHEMICAL CO. (US) 1988-08-23 US disclosed
EP-0243971-A2 Fungicidal pyridyl cyclopropane carboxamides STAUFFER CHEMICAL COMPANY (US) 1987-11-04 EP disclosed