Benzene

Benzene

SCHEMBL28097017

C=Cc1ccc2ccccc2n1.c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.60
RAB9A P51151 8/20 0.60
LMNA P02545 6/20 0.60
KDM4E B2RXH2 6/20 0.60
PKM P14618 2/20 0.60
MAPT P10636 6/20 0.53
SMN1; SMN2 Q16637 5/20 0.53
HTT P42858 2/20 0.53
TP53 P04637 1/20 0.53
L3MBTL1 Q9Y468 3/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
ECE2 P0DPD6 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2C19 P33261 1/20 0.49

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
SCHEMBL108424 0.98 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL29429975 0.98 RAB9A (0.57) NPC1RAB9ALMNAKDM4EPKM
Naphthalene SCHEMBL27705717 0.96 RAB9A (0.55) NPC1RAB9ALMNAKDM4EPKM
Aniline SCHEMBL27799827 0.91 NPC1 (0.51) NPC1RAB9ALMNAKDM4EPKM
Phenanthrene SCHEMBL28773691 0.90 NPC1 (0.50) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL26623593 0.90 RAB9A (0.50) NPC1RAB9ALMNAKDM4EPKM
Formamide SCHEMBL9732751 0.88 NPC1 (0.49) NPC1RAB9ALMNAKDM4EPKM
Quinoline SCHEMBL28085955 0.87 ALDH1A1 (0.61) NPC1RAB9ALMNAKDM4EPKM
SCHEMBL27531186 0.86 RAB9A (0.61) NPC1RAB9ALMNAKDM4EPKM
Carbazole SCHEMBL27941204 0.82 NR0B1 (0.51) NPC1RAB9ALMNAKDM4EPKM

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105960445-B Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2018-06-05 CN claimed
CN-107922831-A Thermochromic color Memorability composition and the interior Thermochromic color Memorability microcapsules pigment for being surrounded by said composition 百乐墨水株式会社 2018-04-17 CN claimed
CN-106661443-A Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2017-05-10 CN claimed
CN-105960445-A Thermochromic color-memory composition and thermochromic color-memory microcapsule pigment encapsulating same 百乐墨水株式会社 2016-09-21 CN claimed
CN-104246626-B Photosensitive composition for volume hologram recording, volume hologram recording medium using same, method for manufacturing volume hologram recording medium, and hologram recording method 株式会社大赛璐 2017-05-24 CN disclosed