SCHEMBL8602997

SCHEMBL8602997

COc1ccc(C=CC(=O)c2cccnc2Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.62
MEN1 O00255 5/20 0.62
KMT2A Q03164 5/20 0.62
ALDH1A1 P00352 4/20 0.62
KDM4E B2RXH2 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
PKM P14618 1/20 0.62
L3MBTL1 Q9Y468 1/20 0.62
CYP2D6 P10635 2/20 0.61
MAOA P21397 2/20 0.61
MAOB P27338 2/20 0.61
CYP2C19 P33261 2/20 0.61
CYP2C9 P11712 1/20 0.61
CASP3 P42574 1/20 0.61
SENP8 Q96LD8 1/20 0.61
SENP7 Q9BQF6 1/20 0.61
SENP6 Q9GZR1 1/20 0.61
CYP1A1 P04798 1/20 0.56
CYP1A2 P05177 1/20 0.56

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
SCHEMBL14692636 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14692637 0.81 MAPT (0.72) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4804215 0.77 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL29870513 0.77 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL4804208 0.77 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL25196440 0.76 MAPT (0.74) MAPTMEN1KMT2AALDH1A1NPC1
SCHEMBL2807601 0.76 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL2807599 0.76 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL30807155 0.76 MAPT (1.00) MAPTMEN1KMT2AALDH1A1KDM4E
SCHEMBL14692453 0.75 MAPT (0.72) MAPTMEN1KMT2AALDH1A1KDM4E

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
US-5760191-A Macrocyclic complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions and methods NYCOMED IMAGING AS (NO) 1998-06-02 US disclosed
US-5707603-A Pyridine complexing agents and targeting immunoreagents useful in therapeutic and diagnostic compositions NYCOMED IMAGING AS (NO) 1998-01-13 US disclosed