SCHEMBL7449646

SCHEMBL7449646

COc1[c][nH]c2cccc(-c3cccs3)c12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.35
CDK5 Q00535 1/20 0.35
MST1R Q04912 1/20 0.35
DYRK1A Q13627 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
ERN1 O75460 1/20 0.35
TUBB4A P04350 3/20 0.35
TUBB P07437 3/20 0.35
TUBA3C P0DPH7 3/20 0.35
TUBA1B P68363 3/20 0.35
TUBA4A P68366 3/20 0.35
TUBB4B P68371 3/20 0.35
TUBB3 Q13509 3/20 0.35
TUBB2A Q13885 3/20 0.35
TUBB8 Q3ZCM7 3/20 0.35
TUBA3E Q6PEY2 3/20 0.35
TUBA1A Q71U36 3/20 0.35
TUBA1C Q9BQE3 3/20 0.35
TUBB6 Q9BUF5 3/20 0.35
TUBB2B Q9BVA1 3/20 0.35

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
SCHEMBL7107722 0.77 TUBB4A (0.36) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL7452515 0.74 TUBB4A (0.37) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL7448786 0.74 CLK4 (0.35) DYRK1ACLK4SMN1; SMN2NPC1RAB9A
SCHEMBL4171658 0.72 GPR84 (0.37) MGAMGAASIMGAM2ALDH1A1
SCHEMBL6162726 0.72 ABCG2 (0.42) GAAPARP1ALDH1A1MAPTMAPK1
SCHEMBL19127576 0.69 ERN1 (0.40) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL7213105 0.66 ERN1 (0.58) ERN1SMN1; SMN2GAANPC1RAB9A
SCHEMBL7657623 0.66 PIM1 (0.42) SMN1; SMN2MGAMGAASIMGAM2
SCHEMBL9559475 0.65 ALDH1A1 (0.50) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL28590262 0.65 IMPDH2 (0.47) LTKCDK5MST1RDYRK1ACLK4

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
EP-1104403-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS Pfizer Products Inc. (US) 2001-06-06 EP disclosed
WO-2000009485-A1 HYDROXY PIPECOLATE HYDROXAMIC ACID DERIVATIVES AS MMP INHIBITORS PFIZER PRODUCTS INC. (US) 2000-02-24 WO disclosed