SCHEMBL9722699

SCHEMBL9722699

O=C(COc1cccc(Cl)c1Cl)N1CCNC1=S

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.51
▸ CRHR2 Q13324 1/20 0.51
▸ KMT2A Q03164 4/20 0.46
▸ MEN1 O00255 3/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ GPR6 P46095 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTR1D P28221 2/20 0.39
▸ HTR1B P28222 2/20 0.39
▸ TP53 P04637 1/20 0.39

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
SCHEMBL9722687 0.79 CRHBP (0.48) CRHBPCRHR2NPC1RAB9AGAA
SCHEMBL9722703 0.76 GPR6 (0.48) CRHBPCRHR2KMT2AMEN1GAA
SCHEMBL9722683 0.75 ENPP2 (0.52) CRHBPCRHR2KMT2ANPC1RAB9A
SCHEMBL9722695 0.69 MRGPRX4 (0.51) KMT2AMEN1NPC1RAB9AGAA
SCHEMBL692136 0.69 KMT2A (0.65) KMT2AGAAPOLBALDH1A1L3MBTL1
SCHEMBL4382063 0.69 HTT (0.63) KMT2AMEN1POLBALDH1A1L3MBTL1
SCHEMBL9195201 0.68 HTT (0.53) KMT2AGAASIGMAR1ALDH1A1L3MBTL1
Water SCHEMBL28856010 0.68 KMT2A (0.62) KMT2AGAAPOLBALDH1A1L3MBTL1
SCHEMBL6203335 0.68 HTT (0.53) KMT2AGAASIGMAR1ALDH1A1L3MBTL1
SCHEMBL5235490 0.68 MRGPRX4 (0.50) KMT2AMEN1GAASIGMAR1ALDH1A1

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-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 — — US claimed
US-5139564-A Applying postemergence PARK SANG W (KR) 1992-08-18 — — US disclosed
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