Benzene

Benzene

SCHEMBL9190034

CC(C)(C)CC(C)(C)c1ccc(OS(=O)(=O)O)c(-n2nc3ccccc3n2)c1.c1ccccc1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.41
RAB9A P51151 8/20 0.41
ALDH1A1 P00352 8/20 0.41
SMN1; SMN2 Q16637 7/20 0.41
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
HPGD P15428 6/20 0.40
TDP1 Q9NUW8 3/20 0.40
POLB P06746 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
CYP1A2 P05177 2/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 5/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
MEN1 O00255 2/20 0.34

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
SCHEMBL1620086 0.88 KDM4E (0.39) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11233656 0.88 KDM4E (0.39) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11236764 0.83 KDM4E (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11237184 0.81 HTT (0.40) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Sulfuric Acid SCHEMBL9190041 0.81 PPARG (0.36) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL4253904 0.80 NPC1 (0.50) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11542384 0.80 NPC1 (0.45) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11541708 0.78 NPC1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Octrizole SCHEMBL29349945 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT
Octrizole SCHEMBL28983126 0.78 NPC1 (0.56) NPC1RAB9AALDH1A1SMN1; SMN2MAPT

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
US-5466491-A Polymer substrate with curable coating and gelation inhibitor sensitive to radiation GENERAL ELECTRIC COMPANY (US) 1995-11-14 US disclosed