SCHEMBL11288636

SCHEMBL11288636

CCSCCNc1nccc(O)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC47A1 Q96FL8 1/20 0.37
▸ HRH4 Q9H3N8 4/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ DNM2 P50570 2/20 0.35
▸ MAPK8 P45983 1/20 0.34
▸ HRH2 P25021 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CCR4 P51679 2/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ EIF2AK2 P19525 1/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ ADRA2B P18089 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 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
SCHEMBL3674953 0.82 HRH4 (0.43) HRH4MERTKDNM2MAPK8ALDH1A1
SCHEMBL28106506 0.78 PDPK1 (0.40) HRH4MERTKALDH1A1MKNK1PKM
SCHEMBL8088117 0.78 DNM2 (0.56) HRH4MERTKDNM2MAPK8
SCHEMBL18615429 0.76 MKNK1 (0.48) MERTKALDH1A1CXCR4EIF2AK2MKNK1
SCHEMBL11090421 0.76 DNM2 (0.58) HRH4MERTKDNM2MAPK8
SCHEMBL11262313 0.73 PKM (0.33) SLC47A1PKM
SCHEMBL18434686 0.71 CLK1 (0.42) MAPK8CXCR4
SCHEMBL11086984 0.70 PKM (0.36) MERTKMAPK8ALDH1A1PKM
SCHEMBL3675383 0.68 — —
SCHEMBL18608757 0.67 CDC7 (0.52) MAPK8ALDH1A1

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
EP-0067610-A1 Penicillins, a process for their preparation and compositions containing them BEECHAM GROUP PLC (GB) 1982-12-22 — — EP disclosed
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