SCHEMBL20041743

SCHEMBL20041743

c1cc(-c2ccc3[nH]c4nc5ccccc5n4c3c2)nc(-c2ccc3[nH]c4nc5ccccc5n4c3c2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
ALDH1A1 P00352 6/20 0.46
HPGD P15428 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 2/20 0.46
HSD17B10 Q99714 2/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
MAPK10 P53779 1/20 0.40
RPA1 P27694 1/20 0.39
ADORA1 P30542 5/20 0.38
ADORA2A P29274 3/20 0.38
ADORA2B P29275 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20041527 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL20041553 0.88 KDM4E (0.50) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL25569975 0.86 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL1698065 0.78 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL22357668 0.78 KDM4E (0.46) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL15631615 0.78 ALDH1A1 (0.55) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL18425290 0.78 KDM4E (0.48) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL20041473 0.78 KDM4E (0.31) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL20041720 0.77 KDM4E (0.43) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A
SCHEMBL16693319 0.76 CHEK2 (0.44) KDM4EALDH1A1HPGDSMN1; SMN2RAB9A

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