SCHEMBL9865229

SCHEMBL9865229

Cc1cccc(N2N=C3c4ccc(OC(C)CN(C)C)cc4CCC3CC2=O)c1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 1/20 0.35
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HRH3 Q9Y5N1 2/20 0.33
S1PR1 P21453 2/20 0.33
S1PR3 Q99500 2/20 0.33
MCHR1 Q99705 1/20 0.33
KCNH2 Q12809 1/20 0.32
ACHE P22303 1/20 0.32
ACACB O00763 1/20 0.31
HTT P42858 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL9868430 0.91 TOP1 (0.35) TOP1HRH3S1PR1S1PR3MCHR1
SCHEMBL9866395 0.86 TOP1 (0.37) TOP1TSHRHRH3S1PR1S1PR3
SCHEMBL9866052 0.84 MCHR1 (0.34) TOP1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL9602580 0.83 MCHR1 (0.39) TOP1MAPTALDH1A1GAASMN1; SMN2
SCHEMBL9864910 0.78 L3MBTL1 (0.38) MAPTALDH1A1GAAHTTMEN1
SCHEMBL9603147 0.78 MCHR1 (0.35) TOP1MAPTALDH1A1MCHR1ACHE
SCHEMBL9602772 0.78 MCHR1 (0.35) TOP1MAPTALDH1A1GAAMCHR1
SCHEMBL9866558 0.76 HRH3 (0.45) HRH3
Fumaric Acid SCHEMBL9867501 0.75 ALDH1A1 (0.35) MAPTALDH1A1GAAMCHR1MEN1
Fumaric Acid SCHEMBL9867491 0.75 ALDH1A1 (0.35) MAPTALDH1A1GAAMCHR1MEN1

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
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