SCHEMBL18524002

SCHEMBL18524002

NC1C=CC=C(c2ccc3c(c2)oc2ccccc23)C1n1c2ccccc2c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.38
▸ KMT2A Q03164 5/20 0.38
▸ MAPT P10636 4/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ HPGD P15428 3/20 0.38
▸ AHR P35869 2/20 0.35
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PTGER4 P35408 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ TTR P02766 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL18523774 0.84 AHR (0.33) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18714122 0.72 AHR (0.41) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL26506136 0.68 AHR (0.45) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL19106714 0.68 KDM4E (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL22113251 0.68 KDM4E (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL24173697 0.68 KDM4E (0.47) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL7913698 0.67 AHR (0.63) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL24811973 0.66 AHR (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL18199560 0.66 KDM4E (0.44) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL21444190 0.66 MEN1 (0.40) MEN1KMT2AMAPTKDM4EALDH1A1

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-3130591-A1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME Samsung Electronics Co., Ltd. (KR) 2017-02-15 — — EP disclosed
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