SCHEMBL20041684

SCHEMBL20041684

Cn1c2ccc(-c3ccc4oc5c(-c6ccc7c(c6)n6c8ccccc8nc6n7C)cccc5c4c3)cc2n2c3ccccc3nc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
FLT3 P36888 3/20 0.35
FAAH O00519 1/20 0.34
BMX P51813 2/20 0.33
PRKDC P78527 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
PTPRF P10586 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL16920060 0.94 ALOX5 (0.46) ALOX5FLT3FAAHBMXPRKDC
SCHEMBL20041685 0.88 KMT2A (0.39) FAAHKMT2AMEN1KDM4ENPC1
SCHEMBL15631651 0.87 CHEK2 (0.38) KMT2AMEN1KDM4ENPC1RAB9A
SCHEMBL20041708 0.85 NPC1 (0.34) ALOX5NPC1RAB9A
SCHEMBL15631670 0.84 ALDH1A1 (0.36) FAAHKMT2AMEN1KDM4ENPC1
SCHEMBL20041662 0.83 MEN1 (0.41) FLT3KMT2AMEN1KDM4ENPC1
SCHEMBL20808085 0.81 ALOX5 (0.44) ALOX5FLT3FAAHBMXPRKDC
SCHEMBL20808053 0.81 ALOX5 (0.44) ALOX5FLT3BMXPRKDCKMT2A
SCHEMBL16920084 0.80 ALOX5 (0.45) ALOX5FLT3BMXPRKDCKMT2A
SCHEMBL20041525 0.78 MEN1 (0.44) KMT2AMEN1KDM4ENPC1RAB9A

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-2982676-B1 Benzimidazo[2,1-B]benzoxazoles for electronic applications IDEMITSU KOSAN CO (JP) 2018-04-11 EP disclosed