SCHEMBL20403500

SCHEMBL20403500

CN(c1ccccc1)c1ccc(-c2cccc3c2CCC=C3)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 5/20 0.35
▸ HTR7 P34969 5/20 0.35
▸ LMNA P02545 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ GFER P55789 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHKA P35790 2/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ NR3C2 P08235 1/20 0.31
▸ PRCP P42785 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ CES1 P23141 1/20 0.31
▸ PARP10 Q53GL7 1/20 0.31
▸ PARP11 Q9NR21 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
SCHEMBL27717319 0.83 PRCP (0.41) HTR1AHTR7MAPK1PRCPPARP10
SCHEMBL16359477 0.81 TAAR1 (0.33) —
SCHEMBL16359475 0.80 MEN1 (0.31) —
SCHEMBL19533735 0.77 CA12 (0.36) HTR1AHTR7
SCHEMBL25603416 0.76 — —
SCHEMBL19655083 0.76 — —
SCHEMBL27486700 0.76 ESR2 (0.39) —
SCHEMBL19650764 0.75 PDK2 (0.30) PDK2
SCHEMBL20403501 0.73 CHKA (0.35) LMNAMAPK1GFERSMN1; SMN2CHKA
SCHEMBL28233481 0.73 — —

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-3351531-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG Chem, Ltd. (KR) 2018-07-25 — — EP disclosed
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