SCHEMBL29133631

SCHEMBL29133631

C#CCc1cc(Br)ccc1C

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 13/20 0.47
MAOB P27338 1/20 0.34
FFAR4 Q5NUL3 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL21728168 0.81 PYCR1 (0.45) PYCR1MAOBALDH1A1
SCHEMBL1758635 0.80 PYCR1 (0.37) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL15820796 0.80 CSNK2A1 (0.49) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL8166885 0.78 PYCR1 (0.45) PYCR1MAOBALDH1A1MAPK1POLB
SCHEMBL2867783 0.74 CA1 (0.38) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL8365116 0.74 SMN1; SMN2 (0.41) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL2550855 0.72 CYP2A6 (0.44) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL14363073 0.72 PYCR1 (0.36) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL21573669 0.72 PYCR1 (0.36) PYCR1FFAR4ALDH1A1MAPK1TP53
SCHEMBL2807248 0.72 PYCR1 (0.36) PYCR1FFAR4ALDH1A1MAPK1TP53

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
CN-117098757-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-11-21 CN disclosed