SCHEMBL9602470

SCHEMBL9602470

CN1CCN(CC(O)COc2ccc(-n3nc4c(cc3=O)CCc3ccc(F)cc3-4)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.51
GLA P06280 1/20 0.51
ABCB1 P08183 7/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPT P10636 4/20 0.46
CACNA1G O43497 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL9602367 0.93 ATM (0.47) KDM4EABCB1MEN1KMT2AMAPT
SCHEMBL9602826 0.92 ATM (0.48) KDM4EABCB1MEN1KMT2AMAPT
SCHEMBL9602054 0.91 SMN1; SMN2 (0.48) ABCB1MEN1KMT2ACACNA1GSMN1; SMN2
SCHEMBL9602428 0.87 HRH3 (0.41) KMT2ADRD2ALDH1A1
SCHEMBL9602957 0.84 PTGS1 (0.42) KDM4EGLAMEN1KMT2AMAPT
SCHEMBL9603116 0.83 CYP2D6 (0.41) MEN1KMT2ATSHR
SCHEMBL9601550 0.81 HRH3 (0.40) KMT2ADRD2ALDH1A1
SCHEMBL9602093 0.81 HRH3 (0.39) MEN1KMT2ADRD2ALDH1A1
SCHEMBL9601997 0.81 HRH3 (0.39) KMT2ADRD2ALDH1A1
SCHEMBL9602165 0.80 HRH3 (0.41) KMT2ADRD2ALDH1A1

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