SCHEMBL17897553

SCHEMBL17897553

c1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4cc(N(c5ccccc5)c5ccccc5)ccc43)n2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.33
KMT2A Q03164 8/20 0.33
MAPT P10636 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
LMNA P02545 3/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2C9 P11712 2/20 0.33
CYP2C19 P33261 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK10 P53779 1/20 0.33
ALDH1A1 P00352 5/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
KDM4E B2RXH2 2/20 0.32
CYP3A4 P08684 1/20 0.32
AGTR1 P30556 1/20 0.32
HPGD P15428 3/20 0.31
NTSR1 P30989 1/20 0.31
ADORA2A P29274 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
SCHEMBL17897556 0.93 MEN1 (0.35) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL18511462 0.92 MEN1 (0.37) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL20110547 0.92 ALDH1A1 (0.33) KMT2AMAPTSMN1; SMN2LMNACYP1A2
SCHEMBL17897522 0.92 ALDH1A1 (0.33) KMT2AMAPTSMN1; SMN2LMNACYP1A2
SCHEMBL19626567 0.89 ALDH1A1 (0.35) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL29626014 0.88 TSHR (0.34) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL20110496 0.87 RAC2 (0.35) ALDH1A1L3MBTL1KDM4E
SCHEMBL27109946 0.87 RAC2 (0.35) ALDH1A1L3MBTL1KDM4E
SCHEMBL17828459 0.86 MEN1 (0.42) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL17897550 0.84 MEN1 (0.38) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297761-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 US disclosed
US-20160197286-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197286-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed