SCHEMBL9861415

SCHEMBL9861415

CCCCOC(=O)c1nc(Cl)sc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.49
LMNA P02545 4/20 0.49
MAPT P10636 2/20 0.49
ATM Q13315 2/20 0.49
GAA P10253 1/20 0.49
ESR1 P03372 7/20 0.44
TSHR P16473 5/20 0.42
TDP1 Q9NUW8 1/20 0.42
POLB P06746 2/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 0.41
MAPK1 P28482 2/20 0.41
CYP2D6 P10635 1/20 0.41
NR1H2 P55055 1/20 0.41
RNASEL Q05823 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40

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
SCHEMBL9861374 0.83 ALDH1A1 (0.50) LMNAMAPTGAACYP1A2MAPK1
SCHEMBL29660331 0.76 PTPN11 (0.46) LMNAMAPTTSHRPOLBSMN1; SMN2
SCHEMBL27795757 0.75 L3MBTL1 (0.46) L3MBTL1LMNAMAPTATMGAA
SCHEMBL9860580 0.74 NPSR1 (0.52) L3MBTL1LMNAMAPTTSHRPOLB
SCHEMBL10667138 0.73 TSHR (0.41) L3MBTL1LMNAMAPTATMGAA
SCHEMBL23749803 0.70 LMNA (0.54) L3MBTL1LMNAMAPTATMGAA
SCHEMBL9860567 0.70 ALDH1A1 (0.36) LMNATSHRCYP1A2CYP2C19RAB9A
SCHEMBL10317272 0.70 ALDH1A1 (0.50) LMNAMAPTGAATSHRCYP1A2
SCHEMBL2826874 0.70 GAA (0.55) LMNAMAPTGAAPOLBCYP1A2
SCHEMBL2478193 0.70 TSHR (0.55) L3MBTL1LMNAATMESR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5068343-A Fungicides for plants BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 US disclosed