SCHEMBL9866052

SCHEMBL9866052

Cc1ccc(N2N=C3c4cc(OC(C)CN(C)C)ccc4CCC3CC2=O)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.34
ACHE P22303 1/20 0.34
TOP1 P11387 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 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
SCHEMBL9868430 0.93 TOP1 (0.35) MCHR1ACHETOP1MEN1KMT2A
SCHEMBL9603147 0.90 MCHR1 (0.35) MCHR1ACHETOP1MEN1KMT2A
SCHEMBL9602772 0.90 MCHR1 (0.35) MCHR1ACHETOP1GAAKDM4E
SCHEMBL9865917 0.88 MAOA (0.34) ACHEGAASMN1; SMN2MEN1KMT2A
SCHEMBL9602580 0.87 MCHR1 (0.39) MCHR1ACHETOP1GAASMN1; SMN2
Fumaric Acid SCHEMBL9867501 0.85 ALDH1A1 (0.35) MCHR1GAAMEN1KMT2AKDM4E
Fumaric Acid SCHEMBL9867491 0.85 ALDH1A1 (0.35) MCHR1GAAMEN1KMT2AKDM4E
Fumaric Acid SCHEMBL9602836 0.85 ALDH1A1 (0.34) MCHR1GAAMEN1KMT2AKDM4E
Fumaric Acid SCHEMBL9602842 0.85 ALDH1A1 (0.34) MCHR1GAAMEN1KMT2AKDM4E
SCHEMBL9865229 0.84 TOP1 (0.35) MCHR1ACHETOP1GAASMN1; SMN2

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