SCHEMBL20831802

SCHEMBL20831802

Cn1ncc(N2CCC(=O)CC2)c(Cl)c1=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
PKM P14618 2/20 0.55
NPC1 O15118 1/20 0.55
KAT2B Q92831 10/20 0.46
BRD9 Q9H8M2 1/20 0.46
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
BPTF Q12830 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL2550526 0.87 ALDH1A1 (0.58) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL2549761 0.85 RAB9A (0.59) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL2547161 0.85 ALDH1A1 (0.60) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL9124077 0.83 PKM (0.54) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL16133060 0.80 ALDH1A1 (0.55) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL23573211 0.78 ALDH1A1 (0.50) ALDH1A1PKMNPC1KAT2BBRD9
SCHEMBL20818806 0.70 ALDH1A1 (0.40) ALDH1A1PKMNPC1GAARAB9A
SCHEMBL9125507 0.70 ALDH1A1 (0.47) ALDH1A1PKMNPC1DCTPP1
SCHEMBL9125502 0.70 ALDH1A1 (0.47) ALDH1A1PKMNPC1DCTPP1
SCHEMBL27264164 0.70 BPTF (0.52) ALDH1A1PKMNPC1KAT2BBPTF

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-2019055966-A2 PYRIDAZINONES AND METHODS OF USE THEREOF GOLDFINCH BIO, INC. (US) 2019-03-21 WO disclosed