SCHEMBL29956915

SCHEMBL29956915

Cc1nc(C=O)ccc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.43
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.33
TERT O14746 1/20 0.33
RRM2 P31350 1/20 0.33
ERN1 O75460 1/20 0.32
FGFR4 P22455 2/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL29935362 0.75 CCR1 (0.46) CCR1ALDH1A1KDM4ETERTRRM2
SCHEMBL6629423 0.74 CCR1 (0.50) CCR1ALDH1A1TERTRRM2ERN1
SCHEMBL30788696 0.72 CCR1 (0.40) CCR1ALDH1A1KDM4E
SCHEMBL489376 0.72 CCR1 (0.40) CCR1ALDH1A1KDM4E
SCHEMBL25851278 0.71 CCR1 (0.46) CCR1ALDH1A1TERT
SCHEMBL13723445 0.71 CCR1 (0.46) CCR1ALDH1A1TERTRRM2ERN1
SCHEMBL21817861 0.71 CCR1 (0.46) CCR1ALDH1A1TERTRRM2ERN1
SCHEMBL29951560 0.71 CCR1 (0.46) CCR1ALDH1A1TERTRRM2ERN1
SCHEMBL29954702 0.71 CCR1 (0.46) CCR1ALDH1A1TERT
SCHEMBL3046961 0.71 CCR1 (0.46) CCR1ALDH1A1KDM4ETERTRRM2

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