SCHEMBL9602826

SCHEMBL9602826

O=c1cc2c(nn1-c1ccc(OCC(O)CN3CCCCC3)cc1)-c1cc(F)ccc1CC2

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
ADORA2A P29274 1/20 0.46
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CACNA1G O43497 1/20 0.44
ABCB1 P08183 8/20 0.44
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 1/20 0.42

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 0.99 ATM (0.47) ATMCYP2D6CYP2C19ADORA2AKDM4E
SCHEMBL9602470 0.92 KDM4E (0.51) KDM4ECACNA1GABCB1TSHRMEN1
SCHEMBL9602054 0.92 SMN1; SMN2 (0.48) ADORA2ACACNA1GABCB1TSHRMEN1
SCHEMBL9602957 0.84 PTGS1 (0.42) CYP2D6CYP2C19KDM4ETSHRMEN1
SCHEMBL9602165 0.84 HRH3 (0.41) KMT2A
SCHEMBL9867239 0.83 HRH3 (0.39)
SCHEMBL9601550 0.82 HRH3 (0.40) KMT2A
SCHEMBL9603116 0.82 CYP2D6 (0.41) CYP2D6TSHRMEN1KMT2A
SCHEMBL9602428 0.81 HRH3 (0.41) KMT2A
SCHEMBL9602093 0.79 HRH3 (0.39) MEN1KMT2A

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
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