SCHEMBL21609606

SCHEMBL21609606

Cc1cc(Oc2ncc(Cl)cn2)c(Sc2ccc(F)cc2)c(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ CYP1A2 P05177 4/20 0.34
▸ CYP3A4 P08684 4/20 0.34
▸ CYP2C19 P33261 4/20 0.34
▸ MAPT P10636 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ RXRA P19793 3/20 0.33
▸ GRIN1 Q05586 3/20 0.33
▸ GRIN2B Q13224 3/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.33

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
SCHEMBL21609607 0.69 LMNA (0.51) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9195683 0.64 CYP1A2 (0.62) NPSR1SMN1; SMN2NPC1RAB9ACYP1A2
SCHEMBL9195983 0.63 MEN1 (0.54) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL9192280 0.62 L3MBTL1 (0.47) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL17440380 0.62 CYP1A2 (0.40) CYP1A2CYP3A4CYP2C19L3MBTL1RXRA
SCHEMBL10508072 0.61 CYP1A2 (0.40) NPSR1CYP1A2CYP3A4CYP2C19MEN1
SCHEMBL10495543 0.61 CYP3A4 (0.47) NPSR1LMNANPC1RAB9ACYP1A2
SCHEMBL27651090 0.61 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C19MEN1KMT2A
SCHEMBL7131217 0.60 KMT2A (0.41) NPSR1SMN1; SMN2LMNANPC1RAB9A
SCHEMBL25336630 0.59 CYP1A2 (0.45) NPSR1SMN1; SMN2LMNANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3810588-A1 SUBSTITUTED 4-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS Bayer Aktiengesellschaft (DE) 2021-04-28 — — EP disclosed
CN-112384507-A Substituted 4-heteroaryloxypyridines and their salts and their use as herbicides 拜耳公司 2021-02-19 — — CN disclosed
WO-2020002085-A1 SUBSTITUTED 4-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
WO-2020002085-A1 SUBSTITUTED 4-HETEROARYLOXYPYRIDINES AND SALTS THEREOF AND THEIR USE AS HERBICIDAL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 2020-01-02 — — WO disclosed
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