Isopropylbenzene

Isopropylbenzene

SCHEMBL28478258

CC(C)c1ccc(N)cc1N.CC(C)c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FADS1 O60427 1/20 0.38
CYP3A4 P08684 3/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
ANPEP P15144 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
HIF1A Q16665 1/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
TYR P14679 1/20 0.36

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
SCHEMBL49477 0.86 CASP1 (0.48) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL29368425 0.86 CASP1 (0.48) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL5486247 0.86 CASP1 (0.48) ALDH1A1MEN1NPC1POLBMAPT
Hydrochloric Acid SCHEMBL11217552 0.84 CASP1 (0.46) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL10492689 0.83 TYR (0.49) ALDH1A1KMT2ACYP3A4HSD17B10CASP1
Isopropylbenzene SCHEMBL29059047 0.82 TSHR (0.53) ALDH1A1MEN1MAPTRAB9AKMT2A
SCHEMBL10492505 0.79 NPC1 (0.42) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL28348786 0.79 ALDH1A1 (0.39) ALDH1A1MEN1NPC1POLBRAB9A
SCHEMBL23818485 0.78 ALDH1A1 (0.47) ALDH1A1MEN1NPC1POLBMAPT
SCHEMBL10492816 0.78 CYP3A4 (0.40) ALDH1A1MEN1POLBMAPTKMT2A

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-107709407-B Polyimide precursor composition, photosensitive resin composition, cured film, method for producing cured film, semiconductor device, and method for producing polyimide precursor composition 富士胶片株式会社 2020-11-17 CN disclosed