SCHEMBL7368048

SCHEMBL7368048

CSc1nc(COCCN2CCCCC2)c(C(=O)O)c(-c2ccc(Cl)c(Cl)c2)n1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 5/20 0.43
▸ POLB P06746 2/20 0.43
▸ SIGMAR1 Q99720 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ CHRM2 P08172 1/20 0.40
▸ CHRM1 P11229 1/20 0.40
▸ BLM P54132 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ HTR2C P28335 2/20 0.36

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
SCHEMBL11931998 0.86 HRH3 (0.39) KDM4EPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7383331 0.80 KDM4E (0.40) KDM4EPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL21023408 0.76 ADORA3 (0.41) ALDH1A1SMN1; SMN2
SCHEMBL12944924 0.75 HRH3 (0.40) KDM4EALDH1A1SMN1; SMN2CHRM2CHRM1
SCHEMBL8142324 0.67 KDM4E (0.42) KDM4EPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL7386585 0.66 KDM4E (0.40) KDM4EPOLBALDH1A1KCNH2MEN1
Hydrochloric Acid SCHEMBL8133640 0.66 KDM4E (0.41) KDM4EPOLBSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL4498957 0.64 FABP4 (0.46) KDM4EALDH1A1MEN1KMT2A
SCHEMBL7364843 0.62 SIGMAR1 (0.42) KDM4EPOLBSIGMAR1KCNH2HTR2C
SCHEMBL7372062 0.61 SIGMAR1 (0.43) KDM4EPOLBSIGMAR1ALDH1A1SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 — — EP claimed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 — — WO claimed
EP-0994859-A1 COMPOUNDS Astra Aktiebolag (publ) (SE) 2000-04-26 — — EP disclosed
WO-1999001437-A1 COMPOUNDS ASTRA AKTIEBOLAG (PUBL) (SE) 1999-01-14 — — WO disclosed
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