Benzene

Benzene

SCHEMBL11580644

CCc1ccc(NC(=O)NC(C)C)cc1.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
ATM Q13315 1/20 0.67
RAB9A P51151 6/20 0.57
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 2/20 0.54
CRHBP P24387 1/20 0.54
CRHR2 Q13324 1/20 0.54
USP2 O75604 1/20 0.54
TP53 P04637 1/20 0.54
ALOX15 P16050 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL24974022 0.97 KMT2A (0.66) MEN1KMT2AATMRAB9ACA12
SCHEMBL13449739 0.84 CA12 (0.70) MEN1KMT2ARAB9ACA12CA1
SCHEMBL13779841 0.83 RAB9A (0.71) MEN1KMT2AATMRAB9ACA12
SCHEMBL11580638 0.83 RAB9A (0.67) MEN1KMT2AATMRAB9ANPC1
SCHEMBL19449476 0.83 CA12 (0.57) MEN1KMT2AATMRAB9ACA12
SCHEMBL4112384 0.82 RAB9A (0.69) MEN1KMT2ARAB9ANPC1MAPT
Benzene SCHEMBL11580862 0.82 HSD17B10 (0.70) MEN1KMT2ARAB9ACA12CA1
SCHEMBL2625563 0.82 HSD17B10 (0.70) MEN1KMT2ARAB9ACA12CA1
SCHEMBL4113855 0.82 RAB9A (0.79) MEN1KMT2AATMRAB9ACA12
SCHEMBL23634207 0.81 CA12 (0.55) MEN1KMT2AATMRAB9ACA12

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-4078913-A Herbicidal 3-(2-phenylisopropyl)urea derivatives S.D.S. BIOTECH KABUSHIKI KAISHA, 1978-03-14 US disclosed