SCHEMBL23640992

SCHEMBL23640992

C1=CCCC(c2cc(-c3ccc(-c4ccccn4)cc3)cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)c2)=C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.38
HPGD P15428 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KLF5 Q13887 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
NPC1 O15118 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
DHODH Q02127 1/20 0.34
NTSR1 P30989 1/20 0.34
NPY5R Q15761 1/20 0.34
HPGDS O60760 2/20 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
SCHEMBL19074719 0.95 RAB9A (0.38) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL21546190 0.94 KDM4E (0.39) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL23966391 0.88 KDM4E (0.30) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL19074813 0.88 IRAK4 (0.35) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL23193401 0.85 MEN1 (0.34) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL22545021 0.84 TSHR (0.35) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL21539990 0.84
SCHEMBL21845645 0.82 MEN1 (0.37) HPGDSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL18902816 0.82 DHODH (0.34) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL2945305 0.82 KDM4E (0.52) RAB9AHPGDSMN1; SMN2KDM4EALDH1A1

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-3663308-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-07-14 EP disclosed