SCHEMBL9172113

SCHEMBL9172113

O/N=C\c1cccc2nnsc12

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 1/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
HPGD P15428 5/20 0.34
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 4/20 0.33
TSHR P16473 2/20 0.33
FGF23 Q9GZV9 2/20 0.33
LMNA P02545 3/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPT P10636 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL9172116 1.00 ALOX12 (0.37) ALOX12NPC1RAB9AHPGDALDH1A1
SCHEMBL8054088 0.79 ADRA1D (0.33)
SCHEMBL8054084 0.79 ADRA1D (0.33)
SCHEMBL543477 0.77 CYP2A6 (0.43) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL8056519 0.75 MAPT (0.49) ALOX12NPC1RAB9AHPGDALDH1A1
SCHEMBL8054085 0.73
SCHEMBL28019868 0.72 HPGD (0.38) ALOX12NPC1RAB9AHPGDALDH1A1
SCHEMBL2778862 0.72 CA1 (0.45) RAB9AALDH1A1KDM4EHTTLMNA
SCHEMBL9172093 0.70 KDM4E (0.46) NPC1RAB9AHPGDALDH1A1KDM4E
SCHEMBL9166381 0.70 KDM4E (0.46) NPC1RAB9AHPGDALDH1A1KDM4E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US claimed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US claimed
US-5384321-A Benzothiadiazole compounds CIBA-GEIGY CORPORATION (US) 1995-01-24 US disclosed
US-5260423-A Fungicide, viricide or bactericide CIBA-GEIGY CORPORATION (US) 1993-11-09 US disclosed