SCHEMBL9019372

SCHEMBL9019372

COc1ccc(NC(=O)C2(F)CC2)cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
KDM4E B2RXH2 2/20 0.56
MAPT P10636 2/20 0.56
ALDH1A1 P00352 3/20 0.55
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
LMNA P02545 3/20 0.55
HTT P42858 1/20 0.55
PABPC1 P11940 3/20 0.53
POLB P06746 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
PKM P14618 1/20 0.50

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
SCHEMBL9644494 0.83 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL9019374 0.83 KMT2A (0.56) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL28372434 0.82 ALDH1A1 (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL9019400 0.79 KCNQ3 (0.49) ALDH1A1NPC1RAB9AHTTSMN1; SMN2
SCHEMBL9644201 0.78 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL9019384 0.78 KMT2A (0.53) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL20069629 0.78 KMT2A (0.50) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL31697577 0.78 ALDH1A1 (0.56) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL13333018 0.77 TSHR (0.62) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL10404298 0.77 KMT2A (0.67) KMT2AMEN1KDM4EMAPTALDH1A1

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
JP-7070073-A None JP disclosed
EP-0436348-B1 Pyridyl cyclopropane derivatives with fungicidal activity ZENECA LTD (GB) 1996-11-13 EP disclosed
JP-H0770073-A PYRIDYLCYCLOPROPANE DERIVATIVE, PRODUCTION THEREOF, AND BACTERICIDAL COMPOSITION CONTAINING SAME IMPERIAL CHEM IND PLC <ICI> 1995-03-14 JP disclosed
US-5126338-A FUNGICIDES WHICH ARE N-PYRIDYL-CYCLOPROPANE CARBOXAMIDES OR DERIVATIVES THEREOF IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-06-30 US disclosed
EP-0436348-A2 Pyridyl cyclopropane derivatives with fungicidal activity ZENECA LIMITED (GB) 1991-07-10 EP disclosed