SCHEMBL29954808

SCHEMBL29954808

O=Cc1ccc2ccc(O)cc2n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYSLTR2 Q9NS75 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
KDM4E B2RXH2 3/20 0.42
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
PFKFB3 Q16875 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
SCHEMBL18572379 1.00 CCR1 (0.48) CCR1ALDH1A1MEN1KMT2ACASP1
SCHEMBL29957739 0.86 PFKFB3 (0.54) CCR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL27558490 0.86 PFKFB3 (0.54) CCR1ALDH1A1MEN1KMT2ANPC1
Formamide SCHEMBL9731173 0.80 PFKFB3 (0.40) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL9731167 0.78 KDM4E (0.51) ALDH1A1MEN1KMT2ACASP1CASP7
SCHEMBL28621619 0.78 CCR1 (0.50) CCR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3748357 0.76 CCR1 (0.48) CCR1ALDH1A1MEN1KMT2ANPC1
SCHEMBL2169969 0.76 CCR1 (0.48) CCR1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL2016701 0.76 BACE1 (0.52) CCR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL3530571 0.76 CYP1A2 (0.55) CCR1ALDH1A1KMT2ANPC1RAB9A

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