SCHEMBL9601971

SCHEMBL9601971

CCN(CC)CCOc1ccc(N2N=C3c4ccccc4SCC3CC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.39
MCHR1 Q99705 1/20 0.39
BCHE P06276 1/20 0.38
MAOA P21397 1/20 0.38
ACHE P22303 1/20 0.38
MAOB P27338 1/20 0.38
CYP1A2 P05177 1/20 0.37
LTA4H P09960 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
HTT P42858 1/20 0.37
SRC P12931 1/20 0.37
BTK Q06187 1/20 0.37
CDK4 P11802 5/20 0.37
CCND1 P24385 5/20 0.37
CCND2 P30279 5/20 0.37
CCND3 P30281 5/20 0.37
RIPK2 O43353 3/20 0.37
ACVR1 Q04771 3/20 0.37

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
Fumaric Acid SCHEMBL9867764 0.93 L3MBTL1 (0.40) KCNH2MCHR1BCHEMAOAACHE
SCHEMBL9601582 0.88 MAPK14 (0.40) MAOBCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL10561829 0.82 MAPT (0.42) ACHEMAPTKMT2A
SCHEMBL9603113 0.82 MAPT (0.37) MAPTKMT2A
Fumaric Acid SCHEMBL9602434 0.82 KMT2A (0.42) BCHEACHEMAOBCYP2C19MAPT
Fumaric Acid SCHEMBL9602442 0.82 KMT2A (0.42) BCHEACHEMAOBCYP2C19MAPT
SCHEMBL9602381 0.80 TDP1 (0.39) CYP1A2SRCMAPTKMT2A
SCHEMBL9602794 0.80 CHRM2 (0.32) KCNH2CYP1A2CYP2D6MAPTKMT2A
SCHEMBL10562323 0.79 PDE4A (0.40) CYP1A2MAPTKMT2A
SCHEMBL10562924 0.78 CES2 (0.36) ACHEMAPTKMT2A

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 5 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 claimed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP claimed
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