SCHEMBL14580682

SCHEMBL14580682

c1ccc2c(c1)CC1(C2)c2ccccc2-c2ccc(-c3nc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)nc(-c4ccc5c(c4)C4(Cc6ccccc6C4)c4ccccc4-5)n3)cc21

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
PDK2 Q15119 14/20 0.35
MEN1 O00255 2/20 0.33
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
NFKB1 P19838 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL14580671 0.94 ESR1 (0.37) ESR1ESR2PDK2MEN1MAPT
SCHEMBL15274114 0.93 MAOB (0.35) ESR1ESR2PDK2MEN1MAPT
SCHEMBL15274140 0.93 MAOB (0.35) ESR1ESR2PDK2MEN1MAPT
SCHEMBL14580680 0.91 ESR1 (0.36) ESR1ESR2PDK2MEN1MAPT
SCHEMBL14580660 0.86 PDK2 (0.42) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL14580669 0.86 KMT2A (0.41) ESR1ESR2PDK2MEN1MAPT
SCHEMBL14580663 0.85 PDK2 (0.39) ESR1ESR2PDK2
SCHEMBL5505298 0.84 ESR1 (0.40) ESR1ESR2PDK2
SCHEMBL14580676 0.83 PGR (0.38) PDK2MEN1MAPTKMT2AALDH1A1
SCHEMBL14580658 0.81 PDK2 (0.56) ESR1ESR2PDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed
US-20070042220-A1 Compound having spiro bond, material for luminescent coating formation and organic electroluminescence element including the same IDEMITSU KOSAN CO., LTD. (JP) 2007-02-22 US disclosed