SCHEMBL29954773

SCHEMBL29954773

O=Cc1ccc(F)c(F)n1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.50
ALDH1A1 P00352 1/20 0.39
TERT O14746 4/20 0.38
ERN1 O75460 2/20 0.34
S1PR4 O95977 2/20 0.33
RRM2 P31350 1/20 0.33
KCNJ1 P48048 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
SCHEMBL29951560 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL29956032 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL29957818 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL29186855 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL15104564 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL24665932 0.77 CCR1 (0.46) CCR1ALDH1A1TERTRRM2KCNJ1
SCHEMBL16822477 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL29957451 0.77 CCR1 (0.46) CCR1ALDH1A1TERTS1PR4RRM2
SCHEMBL21817861 0.77 CCR1 (0.46) CCR1ALDH1A1TERTERN1S1PR4
SCHEMBL29820201 0.77 CCR1 (0.46) CCR1ALDH1A1TERTRRM2KCNJ1

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