SCHEMBL9602381

SCHEMBL9602381

O=C1CC2CSc3ccccc3C2=NN1c1ccc(OCC2CO2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 3/20 0.36
PKM P14618 2/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
FGFR1 P11362 1/20 0.35
SRC P12931 1/20 0.35
GRM2 Q14416 8/20 0.34
TP53 P04637 3/20 0.33
TSHR P16473 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PPARG P37231 1/20 0.33
PARP1 P09874 1/20 0.33

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
SCHEMBL9603113 0.83 MAPT (0.37) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL10564538 0.81 IDO1 (0.36) LMNATP53MAPTPDE4APDE4B
SCHEMBL10562323 0.81 PDE4A (0.40) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL8580740 0.79 GABRP (0.43) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL10557556 0.79 MAPT (0.39) TDP1ALDH1A1LMNAGAAMEN1
SCHEMBL9601585 0.79 MIF (0.36) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL10561260 0.79 ACHE (0.36) TDP1ALDH1A1GAAMEN1KMT2A
SCHEMBL9602794 0.79 CHRM2 (0.32) LMNAMEN1KMT2AMAPTCYP1A2
SCHEMBL10562574 0.77 CES2 (0.39) LMNAGAATP53MAPTHIF1A
Fumaric Acid SCHEMBL9602442 0.76 KMT2A (0.42) TDP1ALDH1A1LMNAGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0351435-B1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1993-08-04 EP disclosed
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed