Benzene

Benzene

SCHEMBL28126190

CCNC(=S)Nc1nccs1.c1ccccc1

nearest known ligand 0.67

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 4/20 0.60
RAB9A P51151 4/20 0.60
NPC1 O15118 3/20 0.60
GAA P10253 3/20 0.60
HTT P42858 3/20 0.60
PKM P14618 3/20 0.60
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
NFKB1 P19838 2/20 0.60
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 2/20 0.60
LMNA P02545 1/20 0.60
MAPK1 P28482 1/20 0.60
THPO P40225 1/20 0.60
MTOR P42345 1/20 0.60
BLM P54132 1/20 0.60

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
SCHEMBL5373992 0.97 ALDH1A1 (0.55) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL7130164 0.84 SMN1; SMN2 (0.68) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL5455503 0.80 KDM4E (0.70) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL6964732 0.79 NPC1 (0.54) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL1520344 0.78 SMN1; SMN2 (0.71) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL27283642 0.78 RAB9A (0.60) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL6953393 0.77 SMN1; SMN2 (0.52) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL9372216 0.77 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL6952650 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1GAA
SCHEMBL6964811 0.77 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1RAB9ANPC1GAA

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-106458993-A Imide-based proteolytic modulators and related methods of use 阿尔维纳斯股份有限公司 2017-02-22 CN disclosed