Benzene

Benzene

SCHEMBL28280515

C=Cc1ncnc(-c2ccccc2)n1.c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
IDH1 O75874 1/20 0.37
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 2/20 0.35
NR1H4 Q96RI1 1/20 0.34
CSF1R P07333 1/20 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
SCHEMBL28091115 1.00 NPC1 (0.38) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL22063722 0.84 MAOB (0.35) IDH1POLBADORA3ADORA2AADORA2B
SCHEMBL18119627 0.80 IDH1 (0.32) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL10618357 0.79 L3MBTL1 (0.52) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL28969986 0.79 ALDH1A1 (0.46) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL56387 0.79 L3MBTL1 (0.54) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL24443170 0.78 L3MBTL1 (0.38) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL26604644 0.78 RAB9A (0.47) NPC1RAB9ASMN1; SMN2L3MBTL1MAPT
Ammonia Solution, Strong SCHEMBL28360184 0.77 L3MBTL1 (0.52) NPC1RAB9AMAPK1SMN1; SMN2NFKB1
SCHEMBL16922581 0.74 NPC1 (0.52) NPC1RAB9AMAPK1SMN1; SMN2NFKB1

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-110389498-A Light curing resin composition, optical filter and photoresist 常州强力先端电子材料有限公司 2019-10-29 CN disclosed
CN-104371372-B Dispersible pigment dispersion, photosensitive polymer combination and dispersing aid containing the dispersible pigment dispersion 东京应化工业株式会社 2019-03-19 CN disclosed