SCHEMBL15501543

SCHEMBL15501543

c1ccc2c(c1)Cc1ccc(-c3ccc(-c4nc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)cc(-c5ccc(-c6ccc7sc8ccccc8c7c6)cc5)n4)cc3)cc1-2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.36
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
MAPT P10636 4/20 0.35
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NTSR1 P30989 1/20 0.34
CYP1A2 P05177 1/20 0.33
TDP2 O95551 1/20 0.33
GPR3 P46089 1/20 0.33
SRD5A2 P31213 1/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALOX5 P09917 1/20 0.32
ROCK1 Q13464 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL17693934 0.94 PIM3 (0.38) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL17693950 0.89 PIM3 (0.40) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL17693933 0.89 PIM3 (0.40) PIM3MEN1KMT2AMAPTCYP1A2
SCHEMBL17693927 0.86 PIM3 (0.38) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL23340618 0.85 GPR3 (0.40) PIM3MAPTALDH1A1HPGDCYP1A2
SCHEMBL15501849 0.85 GPR3 (0.45) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL15964255 0.82 MEN1 (0.50) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL15501932 0.82 MEN1 (0.50) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL19106715 0.82 MEN1 (0.50) PIM3MEN1KMT2AMAPTALDH1A1
SCHEMBL19276013 0.82 MEN1 (0.50) PIM3MEN1KMT2AMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-9209406-B2 Aromatic heterocyclic derivative, material for organic electroluminescent element, and organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2015-12-08 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 US disclosed
US-20140073784-A1 AROMATIC HETEROCYCLIC DERIVATIVE, MATERIAL FOR ORGANIC ELECTROLUMINESCENCE ELEMENT, AND ORGANIC ELECTROLUMINESCENCE ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2014-03-13 US disclosed