SCHEMBL21444190

SCHEMBL21444190

NC1=C(c2ccc3c(c2)oc2ccccc23)C(n2c3ccccc3c3ccccc32)CC=C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.40
▸ KMT2A Q03164 6/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ AHR P35869 2/20 0.38
▸ NPC1 O15118 5/20 0.35
▸ RAB9A P51151 5/20 0.35
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ TP53 P04637 2/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ HCRTR1 O43613 1/20 0.31
▸ MMP12 P39900 1/20 0.31
▸ MMP13 P45452 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
SCHEMBL21444078 0.75 KMT2A (0.42) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL7913698 0.67 AHR (0.63) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL12811645 0.66 DDB1 (0.32) —
SCHEMBL18524002 0.66 MEN1 (0.38) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL24173697 0.65 KDM4E (0.47) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL22113251 0.65 KDM4E (0.47) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL18565369 0.65 RXRA (0.51) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL19106714 0.65 KDM4E (0.47) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL26506136 0.65 AHR (0.45) MEN1KMT2AMAPTKDM4EHPGD
SCHEMBL18678197 0.65 KMT2A (0.70) MEN1KMT2AMAPTKDM4EHPGD

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-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO LTD (KR) 2019-10-09 — — EP disclosed
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