SCHEMBL27836638

SCHEMBL27836638

[c]1ccc(-n2cncc2-c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.45
CYP11B1 P15538 6/20 0.44
CYP11B2 P19099 6/20 0.44
IDO1 P14902 4/20 0.44
LDLR P01130 1/20 0.42
PCSK9 Q8NBP7 1/20 0.42
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
HPGDS O60760 2/20 0.38
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
MAPK14 Q16539 1/20 0.35
SRC P12931 1/20 0.34

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
SCHEMBL12676747 0.87 CYP11B1 (0.50) CRBNCYP11B1CYP11B2IDO1LDLR
SCHEMBL11394015 0.79 CRBN (0.48) CRBNCYP11B1CYP11B2IDO1LDLR
SCHEMBL19953049 0.79 CYP11B1 (0.58) CRBNCYP11B1CYP11B2IDO1LDLR
SCHEMBL27989478 0.77 CYP11B1 (0.49) CRBNCYP11B1CYP11B2IDO1LDLR
SCHEMBL28018866 0.76 ALDH1A1 (0.47) CRBNHSP90AA1HSP90AB1CYP1A2CYP3A4
SCHEMBL11384012 0.76 CYP11B1 (0.59) CRBNCYP11B1CYP11B2HSP90AA1HSP90AB1
SCHEMBL6291219 0.73 PTGS2 (0.58) IDO1
SCHEMBL6294273 0.72 FGFR1 (0.46) CRBNCYP11B1CYP11B2IDO1LDLR
SCHEMBL3972715 0.72 CYP11B1 (0.79) CYP11B1CYP11B2IDO1HPGDS
SCHEMBL27931195 0.72 CRBN (0.45) CRBNCYP11B1CYP11B2IDO1LDLR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102144313-B Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2014-07-30 CN disclosed
CN-102144313-A Organic semiconductor material, light-emitting element, light-emitting device, lighting system, and electronic device using same SEMICONDUCTOR ENERGY LAB 2011-08-03 CN disclosed