SCHEMBL21753947

SCHEMBL21753947

CCNc1ccccc1NC(=O)c1ccc(I)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.53
KMT2A Q03164 5/20 0.53
F10 P00742 1/20 0.53
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
TERT O14746 1/20 0.46
TOP1 P11387 1/20 0.46
LMNA P02545 2/20 0.46
PARP1 P09874 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
GLA P06280 1/20 0.44

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
SCHEMBL7103601 0.86 MEN1 (0.68) MEN1KMT2AF10HPGDPOLB
SCHEMBL338564 0.81 MEN1 (0.58) MEN1KMT2AF10ALDH1A1HPGD
SCHEMBL2882845 0.80 KMT2A (0.59) MEN1KMT2AF10HPGDPOLB
SCHEMBL2732354 0.78 HPGD (0.77) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL308111 0.76 NPC1 (0.72) MEN1KMT2AF10POLBNPC1
SCHEMBL19383916 0.75 MAPK1 (0.62) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL338745 0.75 SIRT2 (0.56) MEN1KMT2AF10HPGDPOLB
SCHEMBL28399871 0.75 KMT2A (0.69) MEN1KMT2AALDH1A1HPGDPOLB
SCHEMBL4890833 0.75 HDAC1 (0.77) NPC1RAB9A
SCHEMBL1066788 0.74 F10 (0.53) MEN1KMT2AF10ALDH1A1HPGD

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
CN-112204042-B Novel compound and organic light-emitting element using same 株式会社LG化学 2023-09-05 CN disclosed
CN-112204042-A Novel compound and organic light-emitting element using same 株式会社LG化学 2021-01-08 CN disclosed
WO-2020040434-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2020-02-27 WO disclosed