SCHEMBL14597988

SCHEMBL14597988

O=C(OCc1ccccc1)C1CCCC(c2cc(Cl)n3nccc3n2)C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ STS P08842 1/20 0.37
▸ NAMPT P43490 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ GABRA1 P14867 1/20 0.36
▸ GABRG2 P18507 1/20 0.36
▸ GABRB3 P28472 1/20 0.36
▸ GABRA3 P34903 1/20 0.36
▸ GABRA2 P47869 1/20 0.36
▸ GABRB2 P47870 1/20 0.36
▸ FKBP1A P62942 1/20 0.36
▸ KCNN1 Q92952 1/20 0.35
▸ KCNN2 Q9H2S1 1/20 0.35
▸ KCNN3 Q9UGI6 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL14597990 0.84 GSK3B (0.43) STSNAMPTTSHRGABRA1GABRG2
SCHEMBL12953214 0.81 JAK2 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL12953174 0.80 TRPC3 (0.52) NPC1RAB9ASMN1; SMN2
SCHEMBL10236614 0.77 PDE10A (0.42) PDE10APOLBSMN1; SMN2
SCHEMBL12952997 0.76 SIGMAR1 (0.48) TSHR
SCHEMBL15709940 0.73 TSHR (0.56) TSHRFKBP1ASLC6A3NPC1RAB9A
SCHEMBL15743128 0.73 TSHR (0.56) TSHRFKBP1ASLC6A3NPC1RAB9A
SCHEMBL15709938 0.73 TSHR (0.56) TSHRFKBP1ASLC6A3NPC1RAB9A
SCHEMBL16086901 0.71 PDE10A (0.48) PDE10APOLBNPC1RAB9ASMN1; SMN2
SCHEMBL12953316 0.71 JAK2 (0.47) NPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7161003-B1 Pyrazolopyrimidines as cyclin dependent kinase inhibitors SCHERING CORPORATION (US) 2007-01-09 — — US disclosed
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