SCHEMBL29954702

SCHEMBL29954702

Cc1nc(C=O)ccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.46
S1PR4 O95977 2/20 0.38
ALDH1A1 P00352 4/20 0.37
TERT O14746 10/20 0.37
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTGS2 P35354 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
SCHEMBL25851278 1.00 CCR1 (0.46) CCR1S1PR4ALDH1A1TERTMEN1
SCHEMBL17408870 0.78 S1PR4 (0.38) S1PR4ALDH1A1
SCHEMBL6629423 0.77 CCR1 (0.50) CCR1S1PR4ALDH1A1TERT
SCHEMBL29957451 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERTMEN1
SCHEMBL13723445 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERTTDP1
SCHEMBL25207516 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERTMEN1
SCHEMBL29951560 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERT
SCHEMBL21817861 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERT
SCHEMBL29935362 0.74 CCR1 (0.46) CCR1ALDH1A1TERTTDP1PTGS2
SCHEMBL29951115 0.74 CCR1 (0.46) CCR1S1PR4ALDH1A1TERTMEN1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed