SCHEMBL28265649

SCHEMBL28265649

Cn1ccc2c(C(=O)OBr)cccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TUBB4A P04350 1/20 0.52
TUBB P07437 1/20 0.52
TUBA3C P0DPH7 1/20 0.52
TUBA1B P68363 1/20 0.52
TUBA4A P68366 1/20 0.52
TUBB4B P68371 1/20 0.52
TUBB3 Q13509 1/20 0.52
TUBB2A Q13885 1/20 0.52
TUBB8 Q3ZCM7 1/20 0.52
TUBA3E Q6PEY2 1/20 0.52
TUBA1A Q71U36 1/20 0.52
TUBA1C Q9BQE3 1/20 0.52
TUBB6 Q9BUF5 1/20 0.52
TUBB2B Q9BVA1 1/20 0.52
TUBB1 Q9H4B7 1/20 0.52
NR4A2 P43354 1/20 0.46
PTPN1 P18031 1/20 0.46
RHEB Q15382 1/20 0.42
MGLL Q99685 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL701556 0.85 NR4A2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL31607540 0.85 NR4A2 (0.64) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL28868007 0.80 NR4A2 (0.50) NR4A2ALDH1A1LMNAKMT2A
SCHEMBL1130987 0.80 PTPN1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL30251521 0.80 PTPN1 (0.61) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL3923460 0.80 TUBB4A (0.54) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL20554177 0.79 NR4A2 (0.73) NR4A2POLBALDH1A1MAPTLMNA
SCHEMBL4109141 0.78 TUBB4A (0.52) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4985228 0.77 PTPN1 (0.55) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL4990737 0.76 TUBB4A (0.54) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109153643-A Substituted indole MCL-1 inhibitors 范德比尔特大学 2019-01-04 CN disclosed