SCHEMBL9524422

SCHEMBL9524422

CN(C)C=C1C(=O)N(c2ccccc2)N=C1c1ccccc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.75
MEN1 O00255 8/20 0.75
MAPT P10636 7/20 0.75
ALDH1A1 P00352 5/20 0.75
KDM4E B2RXH2 5/20 0.75
LMNA P02545 5/20 0.75
SMN1; SMN2 Q16637 4/20 0.75
NPC1 O15118 3/20 0.75
TDP1 Q9NUW8 3/20 0.75
RAB9A P51151 2/20 0.75
ALOX12 P18054 1/20 0.75
POLB P06746 2/20 0.54
GAA P10253 2/20 0.54
RECQL P46063 2/20 0.54
GALK1 P51570 1/20 0.54
BLM P54132 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
PKM P14618 2/20 0.50
HTT P42858 2/20 0.50
MAPK1 P28482 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
SCHEMBL9727216 1.00 KMT2A (0.75) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9651820 0.91 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9651814 0.91 KMT2A (0.71) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9524411 0.88 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL10422268 0.88 KMT2A (0.66) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7685215 0.88 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL7685217 0.88 KMT2A (0.64) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9817985 0.84 KMT2A (0.57) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL9525748 0.84 ALDH1A1 (0.57) KMT2AMEN1MAPTALDH1A1KDM4E
SCHEMBL11895851 0.82 KDM4E (0.61) KMT2AMEN1MAPTALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP claimed
US-5162528-A Pre- and post-emergence; phytaphthora in tomato plants; rice and wheat BAYER AKTIENGESELLSCHAFT (DE) 1992-11-10 US claimed
EP-0274642-B1 HERBICIDAL AND FUNGICIDAL AGENTS BASED ON SUBSTITUTED PYRAZOLIN-5-ONE DERIVATIVES BAYER AG (DE) 1993-08-11 EP disclosed