SCHEMBL11046602

SCHEMBL11046602

CCCCc1ccc(C(=O)OCCN(CC)CC)nc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.57
CYP1A2 P05177 4/20 0.57
LMNA P02545 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
HIF1A Q16665 2/20 0.57
BLM P54132 2/20 0.57
CYP3A4 P08684 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
NFKB1 P19838 1/20 0.57
THPO P40225 1/20 0.57
PMP22 Q01453 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
SCN1A P35498 7/20 0.47
SCN2A Q99250 7/20 0.47

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
SCHEMBL11050923 0.88 SCN1A (0.48) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL6717448 0.87 TSHR (0.66) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL9317698 0.85 TSHR (0.64) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL11043810 0.85 ALDH1A1 (0.57) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL6718182 0.83 ALDH1A1 (0.61) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL7292768 0.83 NFKB1 (0.61) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL27676051 0.83 NFKB1 (0.68) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL6714754 0.82 TSHR (0.59) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL11114790 0.81 CYP1A2 (0.45) TSHRCYP1A2LMNAMEN1KMT2A
SCHEMBL6720235 0.80 NFKB1 (0.64) TSHRCYP1A2LMNAMEN1KMT2A

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-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed