SCHEMBL28574255

SCHEMBL28574255

CNc1ncn2ccc(OC)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
MAPK1 P28482 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
MAP4K4 O95819 1/20 0.38
MAPK10 P53779 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
QPCT Q16769 1/20 0.36
QPCTL Q9NXS2 1/20 0.36
USP2 O75604 1/20 0.36
CYP1A2 P05177 1/20 0.36

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
Hydrochloric Acid SCHEMBL28568645 0.77 IKBKB (0.42) GAAMAP4K4CCR1CCR5CCR8
SCHEMBL28556779 0.77 MAP4K4 (0.40) ALDH1A1LMNAHSD17B10GAAMAP4K4
SCHEMBL28559531 0.77 MAP4K4 (0.40) MAP4K4YTHDC1IKBKB
Hydrochloric Acid SCHEMBL28562835 0.75 MAP4K4 (0.39) ALDH1A1LMNAHSD17B10GAAMAP4K4
Hydrochloric Acid SCHEMBL28556954 0.75 MAP4K4 (0.39) MAP4K4YTHDC1IKBKB
Hydrochloric Acid SCHEMBL28562875 0.75 MAP4K4 (0.39) MAP4K4IKBKB
SCHEMBL28571706 0.74 MAP4K4 (0.38) ALDH1A1HPGDHTTLMNAHSD17B10
SCHEMBL28913720 0.73 MAP4K4 (0.37) MAP4K4
SCHEMBL21355891 0.73 ALDH1A1 (0.40) ALDH1A1HPGDMAPK1HTTKDM4E
SCHEMBL21355129 0.73 KLKB1 (0.37) ALDH1A1HPGDMAPK1HTTMAPK10

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
CN-112135825-A Plasma kallikrein inhibitors and uses thereof 夏尔人类遗传性治疗公司 2020-12-25 CN disclosed