SCHEMBL7264497

SCHEMBL7264497

CCc1nc2ccccc2n1Cc1ccccc1Br

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
HTT P42858 3/20 0.73
NPSR1 Q6W5P4 3/20 0.73
ALDH1A1 P00352 1/20 0.73
LMNA P02545 3/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
RAB9A P51151 1/20 0.58
MAPT P10636 2/20 0.54
MAPK1 P28482 2/20 0.54
RECQL P46063 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.53
GAA P10253 2/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
AGTR1 P30556 1/20 0.52

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
SCHEMBL15567564 0.82 MEN1 (1.00) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL8367115 0.82 MEN1 (0.70) TSHRMEN1KMT2AHTTALDH1A1
SCHEMBL7259937 0.79 RAB9A (0.74) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL11710202 0.79 TNF (0.68) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL6361819 0.78 RAB9A (0.78) TSHRMEN1KMT2AHTTNPSR1
Bromide SCHEMBL11711816 0.78 TNF (0.67) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL2900203 0.77 MEN1 (0.66) TSHRMEN1KMT2AHTTALDH1A1
SCHEMBL23120167 0.77 TP53 (0.70) TSHRMEN1KMT2AHTTNPSR1
SCHEMBL29949283 0.77 TP53 (0.70) TSHRMEN1KMT2AHTTNPSR1
Iodide SCHEMBL2892303 0.76 MEN1 (0.64) TSHRMEN1KMT2AHTTALDH1A1

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-2003064414-A1 TRICYCLIC COMPOUNDS USEFUL AS ANGIOTENSIN II AGONISTS VICORE PHARMA AB. (SE) 2003-08-07 WO disclosed