SCHEMBL8380209

SCHEMBL8380209

Cn1c(CC#N)nc2cc(S(=O)(=O)N3CCOCC3)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.58
MAPT P10636 3/20 0.58
NPSR1 Q6W5P4 2/20 0.58
ALDH1A1 P00352 6/20 0.54
HSD17B10 Q99714 5/20 0.54
GAA P10253 4/20 0.54
HPGD P15428 4/20 0.54
KDM4E B2RXH2 4/20 0.54
LMNA P02545 1/20 0.51
HTT P42858 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPC1 O15118 1/20 0.49
CASP1 P29466 3/20 0.47
ALOX15 P16050 2/20 0.47
POLB P06746 1/20 0.47
THRB P10828 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
PTPN7 P35236 1/20 0.47

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
SCHEMBL8072391 0.81 ALDH1A1 (0.61) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL8029840 0.74 SMN1; SMN2 (0.52) KMT2AMEN1NPSR1ALDH1A1HSD17B10
SCHEMBL7409773 0.72 SMN1; SMN2 (0.47) KMT2AMAPTALDH1A1GAAHPGD
SCHEMBL6782097 0.70 HTR2C (0.50) ALDH1A1LMNAHTTNPC1THRB
SCHEMBL10953522 0.70 SMN1; SMN2 (0.70) KMT2AMEN1ALDH1A1HSD17B10KDM4E
SCHEMBL8016413 0.68 F2 (0.43) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL1609278 0.68 CNR2 (0.76)
SCHEMBL8265452 0.67 SMN1; SMN2 (0.53) KMT2AMEN1MAPTNPSR1ALDH1A1
SCHEMBL12793245 0.67 POLB (0.88) KMT2AMEN1ALDH1A1HSD17B10GAA
SCHEMBL11488766 0.67 MEN1 (0.49) KMT2AMEN1NPSR1ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11255751-A None JP disclosed
JP-H11255751-A NEW BENZIMIDAZOLOCARBOCYANINE DERIVATIVE, SILVER HALIDE EMULSION CONTAINING THE SAME, SILVER HALIDE PHOTOGRAPHIC PHOTOSENSITIVE MATERIAL AND SILVER HALIDE COLOR PHOTOGRAPHIC PHOTOSENSITIVE MATERIAL KONICA CORP 1999-09-21 JP disclosed