SCHEMBL7477197

SCHEMBL7477197

COC(=O)c1c(C=O)c(C)c(C)n1C/C=C/c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
NPSR1 Q6W5P4 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 5/20 0.40
LMNA P02545 6/20 0.38
POLB P06746 2/20 0.38
HTT P42858 2/20 0.38
CHRM2 P08172 2/20 0.38
CHRM4 P08173 2/20 0.38
CHRM5 P08912 2/20 0.38
ADRA2A P08913 2/20 0.38
CHRM1 P11229 2/20 0.38
ADRB3 P13945 2/20 0.38
ADRA2C P18825 2/20 0.38
CHRM3 P20309 2/20 0.38
S1PR1 P21453 2/20 0.38

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
SCHEMBL7477202 1.00 MAPT (0.43) MAPTKDM4ENPSR1SMN1; SMN2RAB9A
SCHEMBL7478519 0.81 ALDH1A1 (0.33) MAPTNPSR1SMN1; SMN2RAB9AALDH1A1
SCHEMBL27352497 0.80 ALDH1A1 (0.56) MAPTNPSR1SMN1; SMN2ALDH1A1LMNA
SCHEMBL7478131 0.80 ALDH1A1 (0.32) MAPTNPSR1SMN1; SMN2RAB9AALDH1A1
SCHEMBL7478235 0.75 ADORA2B (0.31) MEN1KMT2A
SCHEMBL7483009 0.75 ALDH1A1 (0.34) MAPTKDM4ENPSR1ALDH1A1LMNA
SCHEMBL7475018 0.71 KDM4E (0.32) MAPTKDM4ENPSR1RAB9AL3MBTL1
SCHEMBL7474346 0.70 NPC1 (0.32) MAPTNPSR1RAB9ANPC1ALDH1A1
SCHEMBL7478089 0.70 KDM4E (0.32) MAPTKDM4ENPSR1L3MBTL1ALDH1A1
SCHEMBL5237232 0.68 LMNA (0.31) MAPTNPSR1ALDH1A1LMNAHTT

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