SCHEMBL22203071

SCHEMBL22203071

C/C=C(C)\C=C/c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 5/20 0.55
▸ AHR P35869 1/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ MTNR1A P48039 1/20 0.46
▸ MTNR1B P49286 1/20 0.46
▸ MAPT P10636 5/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ HSD17B10 Q99714 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ GPR3 P46089 1/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL23839435 0.84 KIF11 (0.54) KIF11AHRKMT2AKDM4EMTNR1A
SCHEMBL8124645 0.82 KIF11 (0.64) KIF11AHRKMT2AKDM4EMTNR1A
SCHEMBL22804962 0.80 KIF11 (0.61) KIF11AHRKMT2AKDM4EMTNR1A
SCHEMBL1071505 0.78 KIF11 (0.55) KIF11KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL30440640 0.78 KIF11 (0.55) KIF11KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL12408499 0.78 KIF11 (0.55) KIF11KMT2AKDM4EMTNR1AMTNR1B
SCHEMBL8079075 0.77 KIF11 (0.66) KIF11AHRKMT2AKDM4EMTNR1A
SCHEMBL28217117 0.77 KIF11 (0.66) KIF11AHRKMT2AKDM4EMAPT
SCHEMBL12425753 0.77 HDAC1 (0.61) KIF11HDAC1
SCHEMBL8069561 0.76 KIF11 (0.64) KIF11AHRKMT2AKDM4EMTNR1A

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-3677580-A1 CARBAZOLE-BASED COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME LG CHEM, LTD. (KR) 2020-07-08 — — EP disclosed
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