SCHEMBL24853036

SCHEMBL24853036

CCCCc1ccc(Cc2cc3ccccc3[nH]c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL4I1 Q96RQ9 6/20 0.55
KDM4E B2RXH2 9/20 0.53
PDE10A Q9Y233 1/20 0.52
TSHR P16473 1/20 0.49
ALDH1A1 P00352 5/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 1/20 0.48
OPRK1 P41145 1/20 0.48
CTSV O60911 1/20 0.48
CTSL P07711 1/20 0.48
HSD17B10 Q99714 3/20 0.47
CYP1A2 P05177 1/20 0.47
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.45
BRD4 O60885 1/20 0.45

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
SCHEMBL24852716 0.83 IL4I1 (0.55) IL4I1KDM4ETSHRALDH1A1HPGD
SCHEMBL1370758 0.81 KDM4E (0.59) IL4I1KDM4EPDE10ATSHRALDH1A1
SCHEMBL11709052 0.80 KDM4E (0.57) IL4I1KDM4EPDE10ATSHRALDH1A1
SCHEMBL30274765 0.80 KDM4E (0.57) IL4I1KDM4EPDE10ATSHRALDH1A1
SCHEMBL18499080 0.80 KDM4E (0.57) IL4I1KDM4EPDE10ATSHRALDH1A1
SCHEMBL24851784 0.80 IL4I1 (0.60) IL4I1KDM4ETSHRALDH1A1HPGD
SCHEMBL24851822 0.80 IL4I1 (0.56) IL4I1KDM4ETSHRALDH1A1HPGD
SCHEMBL32681268 0.80 KDM4E (0.67) IL4I1KDM4ETSHRALDH1A1GAA
SCHEMBL13349416 0.79 KDM4E (0.59) IL4I1KDM4EPDE10ATSHRALDH1A1
SCHEMBL31154599 0.77 KDM4E (0.66) IL4I1KDM4ETSHRALDH1A1HPGD

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-2023278222-A1 IL4I1 INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME LLC (US) 2023-01-05 WO disclosed