SCHEMBL17608370

SCHEMBL17608370

COC(=O)c1ccc2c(c1)c(Cc1ccc(OC)c(OC)c1)nn2Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.47
▸ TP53 P04637 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HRH1 P35367 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HSD11B1 P28845 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ P2RX7 Q99572 1/20 0.43
▸ PTGER4 P35408 1/20 0.43

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
SCHEMBL17608355 0.91 CCNC (0.53) POLBHRH1HSD11B1RAB9AALDH1A1
SCHEMBL17608582 0.86 F2RL3 (0.45) TP53MEN1KMT2AMAPTGAA
SCHEMBL17624290 0.83 HRH1 (0.45) POLBHRH1MAPTRAB9AALDH1A1
SCHEMBL16127813 0.79 GAA (0.52) POLBMEN1KMT2AMAPTGAA
SCHEMBL14977876 0.78 F2RL3 (0.48) MEN1KMT2AMAPTGAARAB9A
SCHEMBL17608644 0.73 PTGER4 (0.51) MEN1KMT2AMAPTGAARAB9A
SCHEMBL28569132 0.73 FGFR1 (0.41) HRH1ALDH1A1
SCHEMBL1553851 0.72 SLC22A12 (0.58) POLBMEN1KMT2AGAARAB9A
SCHEMBL8607985 0.71 LMNA (0.48) POLBMEN1KMT2AGAAALDH1A1
SCHEMBL17624218 0.71 HSD11B1 (0.46) POLBHSD11B1PDE4APDE4BPDE4C

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-2016041618-A1 SUBSTITUTED INDAZOLES AND RELATED HETEROCYCLES MERCK PATENT GMBH (DE) 2016-03-24 — — WO disclosed
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