Benzene

Benzene

SCHEMBL28308705

Nc1ccc(N)c(N)c1.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 9/20 0.50
CASP1 P29466 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
CYP3A4 P08684 10/20 0.47
RECQL P46063 3/20 0.47
THRB P10828 3/20 0.46
PKM P14618 2/20 0.46
MAPT P10636 2/20 0.46
USP2 O75604 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
BLM P54132 1/20 0.46
MCL1 Q07820 1/20 0.46
ALDH1A1 P00352 7/20 0.46
ALOX15 P16050 6/20 0.46
TSHR P16473 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
TP53 P04637 2/20 0.46
MAPK1 P28482 1/20 0.45

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
SCHEMBL29371552 0.94
SCHEMBL62612 0.94
Hydrochloric Acid SCHEMBL29391311 0.90 TDP1 (0.53) TDP1CASP1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL29893542 0.90 TDP1 (0.53) TDP1CASP1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL7035695 0.90 TDP1 (0.53) TDP1CASP1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL1599797 0.90 TDP1 (0.53) TDP1CASP1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL3734893 0.90 TDP1 (0.53) TDP1CASP1MEN1KMT2ACYP3A4
Hydrochloric Acid SCHEMBL28563060 0.88 TDP1 (0.50) TDP1CASP1MEN1KMT2ACYP3A4
SCHEMBL6702748 0.84 CYP3A4 (0.46) TDP1CASP1MEN1KMT2ACYP3A4
Urea SCHEMBL6586511 0.80 TDP1 (0.52) TDP1CASP1MEN1KMT2ACYP3A4

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-109897634-A A kind of pH responsive type long wavelength fluorescent carbon point and its biologic applications 江南大学 2019-06-18 CN disclosed