SCHEMBL15038504

SCHEMBL15038504

CCC(O)(c1ccc(Cl)cc1)c1cccnc1NC1C=CC(Cl)=CC1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ POLB P06746 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ TRPA1 O75762 1/20 0.30
▸ P2RX7 Q99572 1/20 0.30

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
SCHEMBL15038529 0.83 — —
SCHEMBL15038933 0.80 P2RX7 (0.32) RAB9APOLBALDH1A1GAAP2RX7
SCHEMBL10047661 0.75 RAB9A (0.48) RAB9ANPSR1POLBMEN1KMT2A
SCHEMBL15215726 0.71 SMN1; SMN2 (0.44) RAB9ANPSR1MEN1KMT2ASMN1; SMN2
SCHEMBL10047675 0.68 RAB9A (0.41) RAB9ANPSR1POLBMEN1KMT2A
SCHEMBL15038467 0.66 RAB9A (0.37) RAB9ANPSR1POLBMEN1KMT2A
SCHEMBL15038462 0.62 RAB9A (0.39) RAB9ANPSR1POLBMEN1KMT2A
SCHEMBL13131547 0.62 NPSR1 (0.57) NPSR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL11625992 0.59 BCL2 (0.58) NPSR1POLBMEN1KMT2ASMN1; SMN2
SCHEMBL15038511 0.59 RAB9A (0.51) RAB9AMEN1KMT2ASMN1; SMN2L3MBTL1

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
EP-2604260-A1 NOVEL HETEROCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION CONTAINING SAME Shionogi&Co., Ltd. (JP) 2013-06-19 — — EP disclosed
Send feedback