SCHEMBL20407079

SCHEMBL20407079

Cc1c(-c2ccc(C3(c4ccccc4)c4ccccc4-c4c3ccc3ccccc43)cc2)ccc2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ TSHR P16473 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ DNMT1 P26358 1/20 0.33
▸ ESR1 P03372 1/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ DHFR P00374 1/20 0.32
▸ TYMS P04818 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ CASP1 P29466 1/20 0.32

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
SCHEMBL20405043 0.89 ESR1 (0.37) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL23655113 0.88 ESR1 (0.36) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL15676320 0.85 MAPT (0.42) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL29557713 0.85 MAPT (0.42) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL23655251 0.85 KDM4E (0.38) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL23655241 0.84 CYP1A2 (0.38) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL26574596 0.84 CYP2A6 (0.40) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL20405260 0.84 PDK2 (0.39) MEN1MAPTKMT2ASMN1; SMN2KDM4E
SCHEMBL25864223 0.82 — —
SCHEMBL20127170 0.82 MAPT (0.40) MEN1MAPTKMT2ASMN1; SMN2KDM4E

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-3351537-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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