SCHEMBL30130661

SCHEMBL30130661

CCOC(=O)c1cc(-c2cccc(Cl)c2)nn1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 3/20 0.57
▸ SMN1; SMN2 Q16637 5/20 0.55
▸ POLB P06746 1/20 0.55
▸ NPC1 O15118 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ TRPM8 Q7Z2W7 1/20 0.50
▸ LMNA P02545 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ GABRA2 P47869 1/20 0.48
▸ GABRB2 P47870 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ JAK3 P52333 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ XPO1 O14980 1/20 0.47

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
SCHEMBL10960418 0.86 CA12 (0.47) FAAHL3MBTL1MEN1KMT2A
SCHEMBL5022767 0.86 TSHR (0.58) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL3664984 0.85 SMN1; SMN2 (0.68) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL4489852 0.85 FAAH (0.57) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL2562448 0.84 FAAH (0.53) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL30504027 0.82 FAAH (0.54) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10961325 0.82 FAAH (0.54) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL10958055 0.81 KMO (0.50) POLBTDP1L3MBTL1MEN1KMT2A
SCHEMBL17980301 0.81 SMN1; SMN2 (0.53) FAAHSMN1; SMN2POLBNPC1RAB9A
SCHEMBL30982331 0.81 SMN1; SMN2 (0.53) FAAHSMN1; SMN2POLBNPC1RAB9A

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
WO-2022250069-A1 SULFUR-CONTAINING PYRAZOLE COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT INCLUDING SULFUR-CONTAINING PYRAZOLE COMPOUND AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2022-12-01 — — WO disclosed
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