SCHEMBL7478517

SCHEMBL7478517

CCC=COC(=O)c1c(C=O)c(C)c(C)n1C

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
LMNA P02545 3/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
HPGD P15428 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 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
SCHEMBL7478525 0.70 ALDH1A1 (0.33) LMNAKDM4ESMN1; SMN2HPGDMAPT
SCHEMBL7478512 0.70 ALDH1A1 (0.33) LMNAKDM4ESMN1; SMN2HPGDMAPT
SCHEMBL7478131 0.69 ALDH1A1 (0.32) KMT2ALMNASMN1; SMN2MAPTNPSR1
SCHEMBL7478128 0.69 ALDH1A1 (0.32) KMT2ALMNASMN1; SMN2MAPTNPSR1
SCHEMBL170291 0.63 ESR1 (0.42) KMT2ALMNASMN1; SMN2TSHRHPGD
SCHEMBL7630371 0.63 ALDH1A1 (0.35) KMT2ALMNAKDM4ETSHRHPGD
SCHEMBL5932891 0.63
SCHEMBL5932881 0.63
SCHEMBL12766691 0.62 KDM4E (0.36) KMT2AKDM4EMAPT
SCHEMBL7479670 0.62 MEN1 (0.36) KMT2ALMNAKDM4ESMN1; SMN2HPGD

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-0742218-B1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO CO (JP) 2002-12-04 EP disclosed
US-6063782-A Pyrrolopyridazine derivatives SANKYO COMPANY, LIMITED (JP) 2000-05-16 US disclosed
EP-0742218-A1 PYRROLOPYRIDAZINE DERIVATIVE SANKYO COMPANY LIMITED (JP) 1996-11-13 EP disclosed