SCHEMBL22476151

SCHEMBL22476151

CNc1ccc2[nH]c(-c3cc(O)cc(F)c3)cc(=O)c2c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.48
HPGD P15428 9/20 0.48
KDM4E B2RXH2 9/20 0.48
LMNA P02545 6/20 0.48
MAPT P10636 4/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
PDE10A Q9Y233 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
THRB P10828 1/20 0.46
MAPK1 P28482 2/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CTSV O60911 1/20 0.42
CTSL P07711 1/20 0.42
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
AHR P35869 1/20 0.41

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
SCHEMBL18294603 0.81 HPGD (0.48) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL18294602 0.75 TUBB4A (0.56) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL8980474 0.71 ALDH1A1 (0.72) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL312265 0.71 SMN1; SMN2 (0.74) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL312000 0.67 HPGD (0.61) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL18294607 0.67 HPGD (0.50) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL6295964 0.66 ALDH1A1 (0.81) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL1181656 0.66 BCHE (0.50) ALDH1A1HPGDKDM4EMEN1KMT2A
SCHEMBL8980242 0.66 PDE10A (0.76) ALDH1A1HPGDKDM4ELMNAMAPT
SCHEMBL9385766 0.65 HPGD (0.68) ALDH1A1HPGDKDM4ELMNAMAPT

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-3302488-B1 NOVEL USE OF ARYL-QUINOLIN DERIVATIVES AS INHIBITORS OF VASCULOGENIC MIMICRY TAIRX INC (TW) 2020-09-30 EP disclosed