SCHEMBL7485673

SCHEMBL7485673

CC(c1nc2ccccc2[nH]1)c1nc2ccc(C(=O)NC(CC(=O)O)P(=O)(O)O)cc2n1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 3/20 0.41
FPR1 P21462 2/20 0.41
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
ACSS2 Q9NR19 1/20 0.39
MAPK1 P28482 2/20 0.38
AURKA O14965 1/20 0.38
PIN1 Q13526 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38

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
SCHEMBL7489855 0.87 PIN1 (0.46) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
Hydrochloric Acid SCHEMBL7478353 0.86 PIN1 (0.45) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
SCHEMBL7490827 0.84 ACSS2 (0.42) L3MBTL1ALDH1A1KMT2AKDM4ELMNA
SCHEMBL7490792 0.84 L3MBTL1 (0.47) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
SCHEMBL7480434 0.82 AURKA (0.47) L3MBTL1ALDH1A1KMT2AKDM4EAURKA
SCHEMBL7485173 0.82 PIN1 (0.46) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
SCHEMBL7485199 0.82 PIN1 (0.46) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
SCHEMBL7479564 0.80 L3MBTL1 (0.46) L3MBTL1ALDH1A1KMT2AFPR1KDM4E
SCHEMBL7069754 0.78 NPC1 (0.49) L3MBTL1KMT2ALMNAMAPTACSS2
SCHEMBL7421962 0.77 PIN1 (0.35) L3MBTL1ALDH1A1ACSS2PIN1HDAC6

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-2000020400-A1 NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS AXYS PHARMACEUTICALS, INC. (US) 2000-04-13 WO disclosed