SCHEMBL10486105

SCHEMBL10486105

COc1cc(Cl)c(-c2nc(N)nc(N)n2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 4/20 0.56
▸ HSP90AB1 P08238 4/20 0.56
▸ HTR2B P41595 1/20 0.50
▸ PDE4D Q08499 1/20 0.50
▸ RECQL P46063 1/20 0.48
▸ NPC1 O15118 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ AGPAT2 O15120 1/20 0.45
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ SUV39H2 Q9H5I1 2/20 0.42
▸ P2RX3 P56373 1/20 0.42
▸ P2RX2 Q9UBL9 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL17349617 0.90 HSP90AA1 (0.65) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL17349613 0.84 HSP90AA1 (0.58) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL17349699 0.83 HSP90AA1 (0.57) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL18750344 0.83 HSP90AA1 (0.59) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL17349700 0.83 HSP90AA1 (0.57) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL17349616 0.81 HSP90AA1 (0.56) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL9566471 0.75 RECQL (0.78) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL9566413 0.75 HRH4 (0.66) HSP90AA1HSP90AB1RECQLNPC1ALDH1A1
SCHEMBL10486451 0.75 NPC1 (0.69) HSP90AA1HSP90AB1HTR2BPDE4DRECQL
SCHEMBL15758089 0.74 HSP90AA1 (0.62) HSP90AA1HSP90AB1ALDH1A1AGPAT2

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-4873242-A NOOTROPIC AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1989-10-10 — — US claimed
US-4873242-A NOOTROPIC AGENTS NIPPON SHINYAKU CO., LTD. (JP) 1989-10-10 — — US disclosed
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