SCHEMBL10465969

SCHEMBL10465969

CC(C)(COc1ccc(Cl)cc1)C(=O)c1cncnc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.47
▸ SSTR4 P31391 1/20 0.44
▸ PPARA Q07869 4/20 0.40
▸ MAOA P21397 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ GLA P06280 1/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 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
SCHEMBL10465614 0.84 POLB (0.44) MAP4K4MAOAMAOBALDH1A1NPSR1
SCHEMBL11530819 0.81 MAP4K4 (0.47) MAP4K4SSTR4PPARAMAOAMAOB
SCHEMBL10518546 0.78 SLC6A2 (0.46) SSTR4PPARACYP19A1LMNANFKB1
SCHEMBL10465341 0.78 PPARA (0.57) MAP4K4PPARACYP19A1ALDH1A1LMNA
SCHEMBL10390840 0.76 SSTR4 (0.52) MAP4K4SSTR4PPARAMAOAMAOB
SCHEMBL21748609 0.76 MAP4K4 (0.62) MAP4K4SSTR4PPARAMAOAMAOB
SCHEMBL10465605 0.75 MEN1 (0.41) CYP19A1NPC1ALDH1A1LMNASMN1; SMN2
SCHEMBL10466908 0.74 PPARA (0.43) PPARAALDH1A1LMNASMN1; SMN2NPSR1
SCHEMBL10457874 0.73 CYP19A1 (0.47) MAP4K4CYP19A1CYP3A4MEN1KMT2A
SCHEMBL21748570 0.73 SSTR4 (0.53) MAP4K4SSTR4PPARAMAOAMAOB

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
US-4877446-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-31 — — US claimed
US-4939155-A Fungicides BAYER AKTIENGESELLSCHAFT (DE) 1990-07-03 — — US disclosed
US-4877446-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-10-31 — — US disclosed
EP-0277520-A2 Parasiticide on a pyrimidine derivative basis BAYER AG (DE) 1988-08-10 — — EP disclosed
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