SCHEMBL28033014

SCHEMBL28033014

CCC(=O)c1c(S(=O)(=O)c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.50
TUBB P07437 1/20 0.50
TUBA3C P0DPH7 1/20 0.50
TUBA1B P68363 1/20 0.50
TUBA4A P68366 1/20 0.50
TUBB4B P68371 1/20 0.50
TUBB3 Q13509 1/20 0.50
TUBB2A Q13885 1/20 0.50
TUBB8 Q3ZCM7 1/20 0.50
TUBA3E Q6PEY2 1/20 0.50
TUBA1A Q71U36 1/20 0.50
TUBA1C Q9BQE3 1/20 0.50
TUBB6 Q9BUF5 1/20 0.50
TUBB2B Q9BVA1 1/20 0.50
TUBB1 Q9H4B7 1/20 0.50
ALDH1A1 P00352 6/20 0.43
KMT2A Q03164 5/20 0.43
MITF O75030 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL28165688 0.84 KDM4E (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
Benzene SCHEMBL28033494 0.79 ALOX5 (0.41) ALDH1A1KMT2AMITFLMNARAB9A
SCHEMBL8770608 0.78 OXER1 (0.49) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29484407 0.78 MAPK1 (0.42) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL8770763 0.77 OXER1 (0.51) ALDH1A1KMT2ALMNAMAPTKDM4E
SCHEMBL15572668 0.74 ALDH1A1 (0.73) ALDH1A1KMT2AMITFLMNARAB9A
SCHEMBL8780773 0.74 CNR1 (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL29414726 0.74 EGFR (0.51) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7835359 0.71 HTR6 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3647177 0.71 HTR6 (0.43) TUBB4ATUBBTUBA3CTUBA1BTUBA4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105061287-A N-substituted benzenesulfonyl-3-propionyl indole derivative, preparation method and application UNIV HENAN SCIENCE & TECH 2015-11-18 CN disclosed
CN-105061287-A N-substituted benzenesulfonyl-3-propionyl indole derivative, preparation method and application UNIV HENAN SCIENCE & TECH 2015-11-18 CN disclosed