Benzene

Benzene

SCHEMBL29015144

CCOC(=O)C(Cl)=Cc1ccccc1Br.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
MAPT P10636 4/20 0.47
LMNA P02545 3/20 0.47
POLB P06746 2/20 0.47
PLIN1 O60240 1/20 0.47
PLIN5 Q00G26 1/20 0.47
ABHD5 Q8WTS1 1/20 0.47
NPSR1 Q6W5P4 2/20 0.43
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43
MAPK1 P28482 1/20 0.43
ALDH1A1 P00352 3/20 0.41
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
FBP1 P09467 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL29015138 0.98 MEN1 (0.48) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL1676566 0.85 MEN1 (0.53) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL8432135 0.83 MEN1 (0.66) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL6220710 0.83 MAPT (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL6220713 0.83 MAPT (0.50) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL28562987 0.82 MAPT (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL27720032 0.82 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL27720090 0.82 MEN1 (0.49) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL5747001 0.80 MEN1 (0.72) MEN1KMT2AMAPTLMNAPOLB
SCHEMBL4803624 0.80 MEN1 (0.72) MEN1KMT2AMAPTLMNAPOLB

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-115057776-A Synthesis method of 2-ethyl naphthoate derivative 必维申瓯质量技术服务温州有限公司 2022-09-16 CN disclosed