SCHEMBL6694090

SCHEMBL6694090

Brc1cnn(-c2ncccc2Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
MEN1 O00255 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
AXL P30530 1/20 0.33
ALDH1A1 P00352 2/20 0.33
TRPV1 Q8NER1 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
XBP1 P17861 1/20 0.32
PLAU P00749 2/20 0.31
ELANE P08246 2/20 0.31
ALKBH2 Q6NS38 1/20 0.31
EGLN1 Q9GZT9 1/20 0.31
CYP46A1 Q9Y6A2 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL18074948 0.83 PRKCI (0.39) PRKCIMEN1PKMKMT2AALDH1A1
SCHEMBL950266 0.83 ALDH1A1 (0.44) PRKCIKMT2AALDH1A1TRPV1CYP1A2
SCHEMBL18394013 0.83 PDE10A (0.34) MEN1PKMKMT2AAXLALDH1A1
SCHEMBL12699417 0.83 PLAU (0.42) PRKCIMEN1PKMKMT2AALDH1A1
SCHEMBL18074982 0.79 SLC2A1 (0.42) PRKCIMEN1KMT2AALDH1A1HPGD
SCHEMBL1198582 0.75 PRKCI (0.42) PRKCIMEN1PKMKMT2AAXL
SCHEMBL20394404 0.74 ADORA2A (0.45) MEN1KMT2AAXLALDH1A1KDM4E
SCHEMBL3923413 0.73 ALKBH2 (0.57) PRKCIMEN1KMT2AKDM4EMAPT
SCHEMBL18074947 0.73 POLB (0.33) PRKCIKMT2AALDH1A1CYP1A2CYP2C19
SCHEMBL26114951 0.72 PRKCI (0.46) PRKCIMEN1PKMKMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed