Sugi Predict

Sugi Predict / Compounds / Benzene

Benzene

Benzene

SCHEMBL28291559

C=Cc1ccncc1.c1ccccc1

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.60
▸ TSHR P16473 1/20 0.60
▸ CYP19A1 P11511 2/20 0.46
▸ CYP11B2 P19099 2/20 0.46
▸ NOTUM Q6P988 1/20 0.43
▸ MAPT P10636 5/20 0.43
▸ JUN P05412 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ GFER P55789 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ G6PC1 P35575 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ KMT2A Q03164 2/20 0.37

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
Benzene SCHEMBL28593769 1.00 ALDH1A1 (0.60) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
Pyridine SCHEMBL2417176 0.95 ALDH1A1 (0.55) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
Styrene SCHEMBL28747695 0.95 ALDH1A1 (0.70) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
Styrene SCHEMBL9192273 0.95 ALDH1A1 (0.70) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
Styrene SCHEMBL2956365 0.95 ALDH1A1 (0.70) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
Hydrogen Peroxide SCHEMBL27481776 0.94 ALDH1A1 (0.53) ALDH1A1TSHRCYP19A1CYP11B2NOTUM
SCHEMBL28222778 0.94 ALDH1A1 (0.59) ALDH1A1TSHRCYP19A1CYP11B2MAPT
SCHEMBL14867 0.94 — —
Bromide SCHEMBL3107187 0.92 ALDH1A1 (0.56) ALDH1A1TSHRCYP19A1CYP11B2MAPT
Charcoal, Activated SCHEMBL6425744 0.92 — —

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112724417-B Ultrathin two-dimensional metal organic framework material and preparation method and application thereof 华南理工大学 2021-12-17 — — CN claimed
CN-112724417-A Ultrathin two-dimensional metal organic framework material and preparation method and application thereof 华南理工大学 2021-04-30 — — CN claimed
CN-109745962-A A kind of mixed and modified organo montmorillonite and its synthetic method and application 南京大学 2019-05-14 — — CN claimed
CN-112390741-B Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof 广西民族大学 2022-07-01 — — CN disclosed
CN-112390741-B Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof 广西民族大学 2022-07-01 — — CN disclosed
CN-112724417-B Ultrathin two-dimensional metal organic framework material and preparation method and application thereof 华南理工大学 2021-12-17 — — CN disclosed
CN-112724417-A Ultrathin two-dimensional metal organic framework material and preparation method and application thereof 华南理工大学 2021-04-30 — — CN disclosed
CN-112390741-A Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof 广西民族大学 2021-02-23 — — CN disclosed
CN-112390741-A Nitrogen-containing bicyclobutane derivative, preparation method and antitumor activity thereof 广西民族大学 2021-02-23 — — CN disclosed
CN-109745962-A A kind of mixed and modified organo montmorillonite and its synthetic method and application 南京大学 2019-05-14 — — CN disclosed