SCHEMBL13680928

SCHEMBL13680928

O=CCCc1c[nH]c(-c2ccc(Cl)cc2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALPL P05186 2/20 0.35
MAPK1 P28482 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.34
CXCR2 P25025 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TNKS O95271 1/20 0.33
GUSB P08236 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
NOTUM Q6P988 1/20 0.33
CHEK2 O96017 1/20 0.33
PARP1 P09874 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32

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
SCHEMBL13680925 0.84 POLB (0.36) MAPK1DCUN1D1CXCR2SMN1; SMN2TNKS
SCHEMBL24088760 0.80 NPC1 (0.45) KDM4EALPLMAPK1DCUN1D1CXCR2
SCHEMBL28066635 0.78 KDM4E (0.35) TYMPKDM4EALPLMAPK1DCUN1D1
SCHEMBL23778736 0.77 NOTUM (0.45) TYMPKDM4EALPLMAPK1DCUN1D1
SCHEMBL24088775 0.77 GFER (0.46) TYMPKDM4EALPLMAPK1DCUN1D1
SCHEMBL23778726 0.77 TYMP (0.46) TYMPKDM4EMAPK1NOTUMCHEK2
SCHEMBL23778730 0.77 MEN1 (0.39) TYMPKDM4EALPLMAPK1DCUN1D1
SCHEMBL23778698 0.75 TP53 (0.41) TYMPKDM4ECXCR2SMN1; SMN2MEN1
SCHEMBL23778650 0.74 MTNR1A (0.48) NPC1RAB9ASMN1; SMN2NOTUMMEN1
SCHEMBL2555001 0.72 KDM4E (0.41) TYMPKDM4EALPLMAPK1DCUN1D1

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
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed