SCHEMBL2648356

SCHEMBL2648356

COc1cc(C=O)cc(I)c1OC.O=Cc1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 1/20 0.45
TSHR P16473 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.43
TUBB4A P04350 4/20 0.42
TUBB P07437 4/20 0.42
TUBA3C P0DPH7 4/20 0.42
TUBA1B P68363 4/20 0.42
TUBA4A P68366 4/20 0.42
TUBB4B P68371 4/20 0.42
TUBB3 Q13509 4/20 0.42
TUBB2A Q13885 4/20 0.42
TUBB8 Q3ZCM7 4/20 0.42
TUBA3E Q6PEY2 4/20 0.42
TUBA1A Q71U36 4/20 0.42
TUBA1C Q9BQE3 4/20 0.42
TUBB6 Q9BUF5 4/20 0.42
TUBB2B Q9BVA1 4/20 0.42
TUBB1 Q9H4B7 4/20 0.42

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
SCHEMBL2335896 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRABCG2TUBB4A
SCHEMBL30426642 0.84 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRABCG2TUBB4A
SCHEMBL17518840 0.75 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRABCG2TDP1
SCHEMBL19835134 0.74 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2POLBTSHRTDP1
SCHEMBL2593503 0.74 MCL1 (0.50) ALDH1A1TSHRABCG2TUBB4ATUBB
SCHEMBL4290 0.73
SCHEMBL17231887 0.73 ALDH1A1 (1.00) ALDH1A1SMN1; SMN2POLBTDP1MAPK1
SCHEMBL29391648 0.73
SCHEMBL27220302 0.72 HTR1A (0.50) ALDH1A1SMN1; SMN2POLBABCG2MAPK1
SCHEMBL96635 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRTUBB4ATUBB

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-0994848-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 2000-04-26 EP disclosed
WO-1999001423-A1 GLUCAGON ANTAGONISTS/INVERSE AGONISTS NOVO NORDISK A/S (DK) 1999-01-14 WO disclosed