SCHEMBL17608582

SCHEMBL17608582

COC(=O)c1ccc2c(c1)c(Cc1cccc(C)c1)nn2Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F2RL3 Q96RI0 1/20 0.45
▸ GAA P10253 2/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ MAPK10 P53779 1/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ SLC16A3 O15427 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ ABHD6 Q9BV23 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TP53 P04637 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ PTGER4 P35408 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ F2 P00734 1/20 0.41
▸ PLAU P00749 1/20 0.41
▸ ELANE P08246 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41

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
SCHEMBL17608370 0.86 POLB (0.47) GAARAB9AMEN1KMT2AALDH1A1
SCHEMBL16127813 0.82 GAA (0.52) F2RL3GAARAB9AMAPK10MEN1
SCHEMBL14977876 0.79 F2RL3 (0.48) F2RL3GAARAB9AMAPK10MEN1
SCHEMBL17608485 0.79 ADRA1A (0.43) GAAMEN1KMT2ASLC16A3MAPT
SCHEMBL17608355 0.77 CCNC (0.53) RAB9AALDH1A1PTGER4HDAC3HDAC1
SCHEMBL1553851 0.76 SLC22A12 (0.58) F2RL3GAARAB9AMEN1KMT2A
SCHEMBL17608644 0.75 PTGER4 (0.51) F2RL3GAARAB9AMEN1KMT2A
SCHEMBL28569132 0.74 FGFR1 (0.41) ALDH1A1
SCHEMBL8687237 0.72 SLC22A12 (0.44) F2RL3GAARAB9AMAPK10MEN1
SCHEMBL12797648 0.72 LOXL2 (0.64) RAB9AMEN1KMT2AALDH1A1MAPT

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