SCHEMBL20021100

SCHEMBL20021100

CNc1ccc2c3c(cccc13)CCO2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 8/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
POLB P06746 2/20 0.40
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
FABP3 P05413 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
USP2 O75604 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
SCN2A Q99250 1/20 0.37

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
SCHEMBL3298420 0.79 TYMS (0.45) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL8714067 0.78 KDM4E (0.67) HPGDKDM4EHSD17B10ALDH1A1LMNA
SCHEMBL15182506 0.75 FABP4 (0.35) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL13736784 0.75 KEAP1 (0.38) HPGDKDM4EHSD17B10ALDH1A1MEN1
SCHEMBL20020909 0.75 KDM4E (0.38) HPGDKDM4EHSD17B10ALDH1A1POLB
SCHEMBL20021160 0.72 PRKCI (0.34) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL20021168 0.72 PRKCI (0.37) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL15169189 0.70 MAPK1 (0.31) HPGDKDM4EALDH1A1LMNAMEN1
SCHEMBL1150917 0.69 PARP1 (0.47) HPGDKDM4EHSD17B10ALDH1A1NPSR1
SCHEMBL19389370 0.69 ITGB2 (0.38) LMNAHTTSMN1; SMN2PKMPRKCI

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
EP-2588455-B1 2-QUINOLINYL-ACETIC ACID DERIVATIVES AS HIV ANTIVIRAL COMPOUNDS GILEAD SCIENCES INC (US) 2018-04-04 EP disclosed