SCHEMBL8590732

SCHEMBL8590732

CNC=CC(=O)c1cc(OC)c(OC)c(OC)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.63
▸ GAA P10253 1/20 0.63
▸ ABCG2 Q9UNQ0 1/20 0.62
▸ MEN1 O00255 1/20 0.60
▸ LMNA P02545 1/20 0.60
▸ GLA P06280 1/20 0.60
▸ HPGD P15428 1/20 0.60
▸ KMT2A Q03164 1/20 0.60
▸ TNFRSF1A P19438 4/20 0.57
▸ ABCB1 P08183 2/20 0.57
▸ TUBB1 Q9H4B7 6/20 0.56
▸ TUBB4A P04350 3/20 0.54
▸ TUBB P07437 3/20 0.54
▸ TUBA3C P0DPH7 3/20 0.54
▸ TUBA1B P68363 3/20 0.54
▸ TUBA4A P68366 3/20 0.54
▸ TUBB4B P68371 3/20 0.54
▸ TUBB3 Q13509 3/20 0.54
▸ TUBB2A Q13885 3/20 0.54
▸ TUBB8 Q3ZCM7 3/20 0.54

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
SCHEMBL11539495 0.81 ABCG2 (0.68) POLBGAAABCG2TNFRSF1AABCB1
SCHEMBL374153 0.80 ABCG2 (0.62) POLBGAAABCG2TNFRSF1AABCB1
Baxitozine SCHEMBL6859777 0.79 ABCG2 (0.66) POLBGAAABCG2HPGDTNFRSF1A
SCHEMBL18480640 0.79 ABCG2 (0.66) POLBGAAABCG2TNFRSF1AABCB1
Baxitozine SCHEMBL9321098 0.79 ABCG2 (0.66) POLBGAAABCG2HPGDTNFRSF1A
Water SCHEMBL15135999 0.79 ABCG2 (0.60) POLBGAAABCG2TNFRSF1AABCB1
SCHEMBL14820484 0.78 ABCG2 (0.84) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL14800858 0.78 ABCG2 (0.84) ABCG2TNFRSF1AABCB1TUBB1TUBB4A
SCHEMBL17237049 0.77 POLB (0.60) POLBGAAABCG2MEN1LMNA
SCHEMBL17237054 0.77 POLB (0.60) POLBGAAABCG2MEN1LMNA

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-0862560-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1998-09-09 — — EP disclosed
WO-1997019065-A1 SUBSTITUTED 2-ANILINOPYRIMIDINES USEFUL AS PROTEIN KINASE INHIBITORS CELLTECH THERAPEUTICS LIMITED (GB) 1997-05-29 — — WO disclosed
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