SCHEMBL9817985

SCHEMBL9817985

CN(C)C=C1C(=O)N(c2ccccc2)N=C1c1cccc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.57
MEN1 O00255 7/20 0.57
MAPT P10636 5/20 0.57
KDM4E B2RXH2 5/20 0.57
ALDH1A1 P00352 4/20 0.57
LMNA P02545 4/20 0.57
RAB9A P51151 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
TDP1 Q9NUW8 3/20 0.57
NPC1 O15118 2/20 0.57
ALOX12 P18054 1/20 0.57
GAA P10253 3/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 2/20 0.44
GALK1 P51570 1/20 0.44
BLM P54132 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
AMY1A P0DUB6 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42
PKM P14618 1/20 0.41

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
SCHEMBL9817991 0.94 KMT2A (0.50) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9525748 0.93 ALDH1A1 (0.57) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9727216 0.84 KMT2A (0.75) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9524422 0.84 KMT2A (0.75) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL15269351 0.81 MAPT (0.65) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL15269355 0.81 MAPT (0.65) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9651820 0.79 KMT2A (0.71) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL9651814 0.79 KMT2A (0.71) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7685215 0.76 KMT2A (0.64) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL7685217 0.76 KMT2A (0.64) KMT2AMEN1MAPTKDM4EALDH1A1

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-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US claimed