SCHEMBL27797243

SCHEMBL27797243

COc1ccc(C(=O)Nc2ccc(C(C)(C)COC(=O)c3c[nH]c4c(F)cccc34)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUSB P08236 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ROCK2 O75116 2/20 0.43
MAPK14 Q16539 1/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 5/20 0.42
MAPK1 P28482 1/20 0.42
PDE4D Q08499 1/20 0.42
CYP3A4 P08684 1/20 0.42
TP53 P04637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NQO2 P16083 1/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
PKM P14618 2/20 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
SCHEMBL4564334 0.88 ROCK2 (0.45) GUSBNR1H4MEN1KMT2AROCK2
SCHEMBL27775915 0.87 NR1H4 (0.44) NR1H4MEN1KMT2AROCK2MAPK14
SCHEMBL27775774 0.86 RXFP1 (0.56) NR1H4MEN1KMT2AMAPTNPC1
SCHEMBL27796964 0.85 NTRK1 (0.45) NR1H4MEN1KMT2AROCK2MAPK14
SCHEMBL27776057 0.84 ALDH1A1 (0.46) NR1H4MEN1KMT2AALDH1A1MAPT
SCHEMBL27797188 0.84 ALDH1A1 (0.46) NR1H4MEN1KMT2AALDH1A1MAPT
SCHEMBL27797184 0.81 CPT1A (0.53) NR1H4MEN1KMT2AALDH1A1KDM4E
SCHEMBL4563838 0.77 NR1H4 (0.45) NR1H4MEN1KMT2AROCK2MAPK14
SCHEMBL28782773 0.77 KMT2A (0.48) NR1H4MEN1KMT2AALDH1A1POLB
SCHEMBL27797361 0.76 MEN1 (0.50) NR1H4MEN1KMT2AALDH1A1POLB

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
CN-101679215-A New benzamide derivatives as the follicle stimulating hormone conditioning agent ADDEX PHARMA SA 2010-03-24 CN disclosed