SCHEMBL2649949

SCHEMBL2649949

COc1cc(C=O)cc(Br)c1OCCBr

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.64
MAPK1 P28482 1/20 0.64
MEN1 O00255 4/20 0.53
KMT2A Q03164 4/20 0.53
HTT P42858 2/20 0.53
HPGD P15428 1/20 0.53
FDPS P14324 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.45
MAPT P10636 5/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
TUBB1 Q9H4B7 3/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 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
SCHEMBL2650280 0.91 FDPS (0.51) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL9719099 0.88 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL6943688 0.88 ALDH1A1 (0.64) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL9153088 0.87 ALDH1A1 (0.67) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL11765947 0.87 ALDH1A1 (0.63) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL2649971 0.85 ALDH1A1 (0.44) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL15565623 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL31139235 0.85 ALDH1A1 (0.61) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL14835707 0.84 ALDH1A1 (0.68) ALDH1A1MAPK1MEN1KMT2AHTT
SCHEMBL14195849 0.84 ALDH1A1 (0.60) ALDH1A1MAPK1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6613942-B1 Nonpeptide; 4-hydroxy benzoic acid hydrazides NOVO NORDISK A/S (DK) 2003-09-02 US disclosed
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