Benzene

Benzene

SCHEMBL28840969

CCC(C)(C)c1ccc(OC(=O)NN)cc1.c1ccccc1

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.50
NPC1 O15118 2/20 0.50
POLB P06746 1/20 0.50
CYP2C9 P11712 1/20 0.50
TDP1 Q9NUW8 2/20 0.49
MAPT P10636 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
CHRM2 P08172 1/20 0.42
HRH3 Q9Y5N1 10/20 0.41
CASP1 P29466 1/20 0.41

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
SCHEMBL19490759 0.83 BCHE (0.50) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1834517 0.82 RAB9A (0.65) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL16939915 0.81 TDP1 (0.48) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1833341 0.79 NPC1 (0.54) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1952350 0.79 TDP1 (0.54) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1787793 0.77 TDP1 (0.52) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1790593 0.76 KMT2A (0.56) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL26085048 0.76 ELANE (0.61) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1841957 0.75 TDP1 (0.44) RAB9ANPC1POLBCYP2C9TDP1
SCHEMBL1951866 0.74 RAB9A (0.55) RAB9APOLBTDP1MAPT

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-103553972-B Method for the preparation of n-substituted carbamic acid ester and method for the preparation of isocyanate using the n-substituted carbamic acid ester 旭化成株式会社 2017-04-12 CN disclosed