SCHEMBL6971345

SCHEMBL6971345

O=[N+]([O-])c1c[c]ccc1NCCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.55
PKM P14618 3/20 0.55
MAPT P10636 7/20 0.54
NPC1 O15118 2/20 0.54
RAB9A P51151 1/20 0.54
MEN1 O00255 1/20 0.52
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.50
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR6 P50406 2/20 0.47
ALDH1A1 P00352 1/20 0.46
CCNC P24863 1/20 0.44
CDK8 P49336 1/20 0.44
WNK1 Q9H4A3 1/20 0.44

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
SCHEMBL27604839 0.89 KMT2A (0.52) KMT2APKMMAPTNPC1RAB9A
SCHEMBL103245 0.82 KMT2A (0.63) KMT2APKMMAPTNPC1RAB9A
SCHEMBL3984840 0.80 MEN1 (0.49) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL8640471 0.80 ALDH1A1 (0.51) KMT2APKMMAPTRAB9AMEN1
SCHEMBL18184326 0.75 KMT2A (0.65) KMT2APKMMAPTNPC1RAB9A
SCHEMBL8150179 0.75 MAPT (0.58) KMT2APKMMAPTNPC1RAB9A
SCHEMBL709343 0.75 KMT2A (0.65) KMT2APKMMAPTNPC1RAB9A
SCHEMBL6995037 0.75 L3MBTL1 (0.44) KMT2APKMMAPTNPC1RAB9A
SCHEMBL2675694 0.74 MAPT (0.54) KMT2AMAPTMEN1RECQLHTT
SCHEMBL12290345 0.73 MAPT (0.64) KMT2APKMMAPTNPC1RAB9A

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed