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
SCHEMBL12583585 0.77 — —
SCHEMBL19464383 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
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