SCHEMBL23975019

SCHEMBL23975019

CCc1cc(C)c(/N=C(\c2ccccc2)c2cccc(/C(=N/c3c(C)cc(CC)cc3Br)c3ccccc3)n2)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CYP1A2 P05177 1/20 0.33
ALDH1A1 P00352 4/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PTGS1 P23219 1/20 0.30
PKM P14618 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
SCHEMBL25647091 0.85 ALDH1A1 (0.35) MAPTKDM4ERAB9AALDH1A1LMNA
SCHEMBL23975016 0.80 ALDH1A1 (0.36) MAPTKDM4ERAB9AALDH1A1LMNA
SCHEMBL5589752 0.77 ALDH1A1 (0.39) MAPTKDM4ECYP1A2ALDH1A1LMNA
SCHEMBL14280811 0.77 ALDH1A1 (0.39) MAPTKDM4ECYP1A2ALDH1A1LMNA
SCHEMBL5589661 0.76 ALDH1A1 (0.38) MAPTKDM4ECYP1A2ALDH1A1LMNA
SCHEMBL14280809 0.76 ALDH1A1 (0.38) MAPTKDM4ERECQLRAB9ANPSR1
SCHEMBL14280799 0.75 GRIN2D (0.39) MAPTKDM4EALDH1A1LMNAHTT
SCHEMBL5590682 0.75 GRIN2D (0.39) MAPTKDM4EALDH1A1LMNAHTT
Hydrochloric Acid SCHEMBL7044267 0.75 ALDH1A1 (0.39) MAPTKDM4ERAB9ANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL7044265 0.75 ALDH1A1 (0.39) MAPTKDM4ERAB9ANPSR1ALDH1A1

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
WO-2021222016-A2 LINEAR LOW DENSITY POLYETHYLENE FOR FILM APPLICATIONS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2021-11-04 WO disclosed