SCHEMBL30846842

SCHEMBL30846842

CC(C)Cc1cc(CCBr)ccn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LNPEP Q9UIQ6 7/20 0.34
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ NOS1 P29475 4/20 0.33
▸ NOS3 P29474 2/20 0.33
▸ NOS2 P35228 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PGR P06401 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ PTGS1 P23219 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ PDE3B Q13370 1/20 0.30
▸ PDE3A Q14432 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ TSHR P16473 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
SCHEMBL27209025 1.00 LNPEP (0.34) LNPEPTDP1ALDH1A1CYP1A2CYP2C19
SCHEMBL21686484 0.84 KDM4E (0.41) LNPEPALDH1A1CYP1A2CYP2C19NOS1
SCHEMBL6560519 0.83 GABRA1 (0.42) LNPEPALDH1A1CYP1A2CYP2C19NOS1
SCHEMBL27652628 0.79 POLB (0.44) LNPEPTDP1CYP1A2NOS1NOS3
SCHEMBL20207667 0.79 NOS3 (0.52) LNPEPALDH1A1CYP1A2NOS1NOS3
SCHEMBL18924301 0.79 LNPEP (0.36) LNPEPALDH1A1CYP1A2CYP2C19NOS1
SCHEMBL21667315 0.76 PNMT (0.46) SLC6A2
SCHEMBL17338725 0.76 SMN1; SMN2 (0.37) LNPEPALDH1A1CYP1A2CYP2C19NOS1
SCHEMBL19822051 0.75 LNPEP (0.37) LNPEPNOS1NOS3NOS2KDM4E
SCHEMBL27719179 0.75 KDM4E (0.37) TDP1CYP1A2NOS1NOS3NOS2

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
CN-117843688-A Organometallic compound, organic light emitting diode having the same, and organic light emitting device 乐金显示有限公司 2024-04-09 — — CN disclosed
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