SCHEMBL28907235

SCHEMBL28907235

CC(C)c1cccc2nc(Br)ccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L11 O43521 2/20 0.39
BCL2L1 Q07817 2/20 0.39
BACE1 P56817 1/20 0.39
GABRA1 P14867 3/20 0.39
LMNA P02545 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRB2 P47870 2/20 0.39
HPGD P15428 2/20 0.39
FAAH O00519 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
GABRB1 P18505 1/20 0.39
PTGS1 P23219 1/20 0.39
SLC6A2 P23975 1/20 0.39
HTR2C P28335 1/20 0.39
GABRA5 P31644 1/20 0.39

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
SCHEMBL19154650 0.81 GABRA1 (0.39) BCL2L11BCL2L1BACE1GABRA1LMNA
SCHEMBL12356977 0.81 ALDH1A1 (0.49) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL18368398 0.80 BCL2L1 (0.56) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL24379013 0.79 LMNA (0.46) BCL2L11BCL2L1BACE1GABRA1LMNA
SCHEMBL28520886 0.77 GABRA1 (0.44) BCL2L11BCL2L1BACE1GABRA1LMNA
SCHEMBL18905189 0.77 ELANE (0.41) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL20047599 0.77 CCR4 (0.39) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL18379227 0.77 GABRA1 (0.35) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL18368391 0.77 GABRA1 (0.35) BCL2L11BCL2L1GABRA1LMNAGABRG2
SCHEMBL23674668 0.76 CYP1A2 (0.44) BACE1HPGDCYP1A2CYP3A4TSHR

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-112250667-B Organic compound, application thereof and organic electroluminescent device using same 固安鼎材科技有限公司 2024-03-08 CN disclosed
CN-112250667-A Organic compound, application thereof and organic electroluminescent device adopting organic compound 固安鼎材科技有限公司 2021-01-22 CN disclosed