Benzene

Benzene

SCHEMBL28226502

CCC(CN)NC(=O)O.c1ccccc1

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
DNM1 Q05193 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP8 P22894 1/20 0.38
CA9 Q16790 1/20 0.38
TAS1R3 Q7RTX0 4/20 0.36
TAS1R1 Q7RTX1 4/20 0.36
HTT P42858 1/20 0.35
TAS1R2 Q8TE23 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HPGD P15428 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL16094266 0.96
Hydrochloric Acid SCHEMBL20186402 0.93 DNM1 (0.40) LMNAPOLBDNM1CA12CA1
SCHEMBL4233769 0.81
SCHEMBL15152152 0.81
Hydrochloric Acid SCHEMBL10822892 0.79 CA12 (0.50) LMNAPOLBCA12CA1CA2
SCHEMBL8970424 0.78 GABRR1 (0.41) LMNAPOLBDNM1CA12CA1
SCHEMBL20186644 0.78 DNM1 (0.43) DNM1TAS1R3TAS1R1
SCHEMBL19464383 0.77
SCHEMBL12583585 0.77
SCHEMBL12583518 0.76 DNM1 (0.48) LMNAPOLBDNM1CA12CA1

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-108283644-A To the instantaneous protection of normal cell during chemotherapy G1治疗公司 2018-07-17 CN disclosed