Benzene

Benzene

SCHEMBL11580795

COc1ccccc1NC(=O)NC(C)C.c1ccccc1

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.64
NPC1 O15118 2/20 0.61
RAB9A P51151 2/20 0.61
LPAR1 Q92633 1/20 0.61
ALDH1A1 P00352 1/20 0.60
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
MAPT P10636 3/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
LMNA P02545 1/20 0.55

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
SCHEMBL19449467 0.98 ANPEP (0.66) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL5923965 0.86 ANPEP (0.63) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL4554983 0.84 POLB (0.77) NPC1RAB9ALPAR1ALDH1A1POLB
SCHEMBL31040567 0.84 POLB (0.77) NPC1RAB9ALPAR1ALDH1A1POLB
SCHEMBL3064292 0.83 ANPEP (0.64) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL11580793 0.83 NPC1 (0.63) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL10362901 0.82 ANPEP (0.49) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL13596172 0.81 POLB (0.62) ANPEPNPC1RAB9ALPAR1ALDH1A1
SCHEMBL16158788 0.80 ALDH1A1 (0.65) ALDH1A1POLBSMN1; SMN2MAPTKMT2A
SCHEMBL13979 0.80 GAA (0.51) ANPEPLPAR1ALDH1A1POLBSMN1; SMN2

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