SCHEMBL8019362

SCHEMBL8019362

C=C(c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1S(=O)(=O)O)c1ccc(NC(=O)c2ccc(OC)c(S(=O)(=O)N3CCN(c4ccccc4)CC3)c2)cc1S(=O)(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
MAPK1 P28482 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
KDM4E B2RXH2 2/20 0.59
GAA P10253 1/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
NPC1 O15118 1/20 0.56
CASP3 P42574 1/20 0.56
RAB9A P51151 1/20 0.56
SENP8 Q96LD8 1/20 0.56
SENP7 Q9BQF6 1/20 0.56
SENP6 Q9GZR1 1/20 0.56
MAPT P10636 7/20 0.56
LMNA P02545 6/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TSHR P16473 1/20 0.55
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51

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
SCHEMBL8023083 0.89 RAB9A (0.56) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL8019190 0.89 RAB9A (0.66) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7665164 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7665267 0.88 ALDH1A1 (0.59) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL8008535 0.88 RAB9A (0.65) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7697941 0.83 NPC1 (0.58) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7698195 0.80 NPC1 (0.57) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7656637 0.78 KMT2A (0.73) ALDH1A1MAPK1SMN1; SMN2L3MBTL1NPC1
SCHEMBL8019200 0.78 LMNA (0.55) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA
SCHEMBL7666243 0.78 L3MBTL1 (0.73) ALDH1A1MAPK1SMN1; SMN2KDM4EGAA

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-2000058277-A1 ARYL SULFONIC ACIDS AND DERIVATIVES AS FSH ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-10-05 WO disclosed