SCHEMBL7695528

SCHEMBL7695528

N#CN1C(c2ccccc2)CNC1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
PKM P14618 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA4 P43681 1/20 0.33
GBA1 P04062 1/20 0.33
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32

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
SCHEMBL4868111 0.71 CHRNB2 (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL4868104 0.71 CHRNB2 (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL14065401 0.71 CHRNB2 (0.48) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL17253905 0.61 KDM4E (0.43) KMT2AMEN1POLBKDM4EALDH1A1
SCHEMBL25173925 0.61 CHRNB2 (0.55) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4587533 0.60 KDM4E (0.41) KDM4EALDH1A1RAB9APKMHPGD
SCHEMBL28187303 0.60 CHRNB2 (0.49) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL31435419 0.59 GBA1 (0.48) KMT2AMEN1KDM4EGAAL3MBTL1
SCHEMBL21751903 0.59 MAOB (0.43) KMT2AMEN1GBA1
SCHEMBL26303398 0.59 GBA1 (0.48) KMT2AMEN1KDM4EGAAL3MBTL1

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-6380237-B1 AS PESTICIDE BAYER AKTIENGESELLSCHAFT (DE) 2002-04-30 US disclosed