SCHEMBL19683336

SCHEMBL19683336

Brc1cc2c(ccc3c4cc(Br)oc4ccc23)o1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
PIM1 P11309 2/20 0.35
MAPK1 P28482 1/20 0.35
CSNK2A1 P68400 1/20 0.32
GFER P55789 1/20 0.32
LMNA P02545 1/20 0.32
ALOX15 P16050 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRP O00591 3/20 0.32
GABRD O14764 3/20 0.32

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
SCHEMBL31692103 0.81
SCHEMBL19683382 0.78 PIM1 (0.50) AHRMAPTKDM4EHPGDPIM1
SCHEMBL25410820 0.78 KDM4E (0.54) MAPTNPC1RAB9AKMT2AKDM4E
SCHEMBL16632533 0.73 MAOA (0.37) AHRSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19561399 0.72 AHR (0.43) AHRSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL19561508 0.72 PIM1 (0.52) AHRSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL258689 0.70 PIM1 (0.55) AHRSMN1; SMN2MAPTNPC1RAB9A
SCHEMBL31326155 0.70 AHR (0.42) AHRGABRPGABRDGABRA1GABRB1
SCHEMBL28519607 0.69 TDP1 (0.45) AHRMAPTNPC1RAB9AKMT2A
SCHEMBL30693959 0.69 PIM1 (0.48) AHRSMN1; SMN2MAPTNPC1RAB9A

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-109153684-B Electroactive compounds 株式会社LG化学 2021-12-21 CN disclosed
WO-2017210072-A1 ELECTROACTIVE COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2017-12-07 WO disclosed