SCHEMBL21889634

SCHEMBL21889634

C1=CCC(c2cc(-c3nc(-c4ccccc4)nc(-c4cc(-c5ccccc5)cc(-c5ccc(-c6ccccn6)cc5)c4)n3)cc(C3C=CC(c4ccccn4)=CC3)c2)C=C1

nearest known ligand 0.31

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
KLF5 Q13887 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL24772165 0.92 RAB9A (0.35) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL21182984 0.92 RAB9A (0.35) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL18902822 0.84 KDM4E (0.34) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL19074708 0.82 WNT3A (0.34) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL23966391 0.81 KDM4E (0.30) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL22423545 0.81
SCHEMBL15828113 0.78 GRM5 (0.36) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL25525539 0.78 MEN1 (0.30) ALDH1A1MAPTHPGD
SCHEMBL17449882 0.77 SMN1; SMN2 (0.39) KDM4EALDH1A1LMNATP53MAPT
SCHEMBL18079858 0.76 TNKS2 (0.34) KDM4EALDH1A1MAPTHPGDRAB9A

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
EP-3842444-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE Samsung Electronics Co., Ltd. (KR) 2021-06-30 EP disclosed
EP-3689888-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2020-08-05 EP disclosed
EP-3626724-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSTION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-03-25 EP disclosed