SCHEMBL20933973

SCHEMBL20933973

CC1(C)c2ccccc2-c2c1ccc1c2Oc2ccc(-c3nc(-c4ccccc4)nc(-c4ccc5c(c4)oc4ccccc45)n3)cc2O1

nearest known ligand 0.31

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
HCRTR1 O43613 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
SCHEMBL20933118 1.00 USP2 (0.31) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20933286 0.98 HCRTR1 (0.31) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20934095 0.98 HCRTR1 (0.31) USP2LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20933153 0.96
SCHEMBL20933561 0.96
SCHEMBL20934222 0.94 HCRTR1 (0.31) LMNAHCRTR1
SCHEMBL20933768 0.93 HCRTR1 (0.31) HCRTR1
SCHEMBL20933537 0.92 ADORA2A (0.30)
SCHEMBL20934420 0.92 HCRTR1 (0.30) HCRTR1
SCHEMBL20933503 0.92 HCRTR1 (0.30) HCRTR1

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
WO-2019078461-A1 NOVEL HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME 주식회사 엘지화학 2019-04-25 WO disclosed