SCHEMBL11046259

SCHEMBL11046259

Nc1ccc(-n2nc3ccc(S(=O)(=O)O)cc3n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.53
MEN1 O00255 10/20 0.53
KMT2A Q03164 10/20 0.53
RAB9A P51151 9/20 0.53
ALDH1A1 P00352 7/20 0.53
MAPT P10636 5/20 0.53
KDM4E B2RXH2 5/20 0.53
ATM Q13315 3/20 0.53
HSD17B10 Q99714 3/20 0.53
GAA P10253 2/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TP53 P04637 1/20 0.53
CASP1 P29466 1/20 0.53
CASP7 P55210 1/20 0.53
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
STAT1 P42224 1/20 0.51
TSHR P16473 2/20 0.50
NT5E P21589 2/20 0.50

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
SCHEMBL11690278 0.91 NPC1 (0.60) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL27854375 0.84 ALDH1A1 (0.54) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL10777778 0.80 MEN1 (0.53) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL24458113 0.79 NPC1 (0.65) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL7047234 0.78 MEN1 (0.79) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL3243331 0.78 NPC1 (0.44) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL24457935 0.77 NPC1 (0.61) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL8756466 0.76 ALDH1A1 (0.44) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL11913141 0.75 NPC1 (0.38) NPC1MEN1KMT2ARAB9AALDH1A1
SCHEMBL4750976 0.74 CASP3 (0.40) MEN1KMT2AALDH1A1MAPTKDM4E

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
US-4478681-A Forgery-proof paper BAYER AKTIENGESELLSCHAFT (DE) 1984-10-23 US disclosed