SCHEMBL6232175

SCHEMBL6232175

COc1cc(OCc2c(F)cccc2Cl)ccc1C[C@H](N)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
PARP15 Q460N3 1/20 0.36
PARP10 Q53GL7 1/20 0.36
STING1 Q86WV6 1/20 0.36
F2RL3 Q96RI0 1/20 0.36
POLB P06746 1/20 0.35
TP53 P04637 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX12 P18054 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL6234213 0.90 SMN1; SMN2 (0.38) ARGPBAR1MEN1KMT2ALMNA
SCHEMBL6232179 0.79 SMN1; SMN2 (0.47) ARGPBAR1MEN1KMT2ALMNA
SCHEMBL6236014 0.73 GNRHR (0.44) ARGPBAR1MEN1KMT2ALMNA
SCHEMBL6234217 0.71 SMN1; SMN2 (0.49) GPBAR1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL6687664 0.71 MAOB (0.59) LMNAPARP15PARP10STING1
SCHEMBL6687667 0.71 MAOB (0.59) LMNAPARP15PARP10STING1
SCHEMBL6233698 0.70 SMN1; SMN2 (0.42) ARGPBAR1MEN1KMT2ALMNA
SCHEMBL6235089 0.69 ALDH1A1 (0.50) ARGPBAR1MEN1KMT2ALMNA
SCHEMBL6690944 0.69 MAOB (0.48) LMNAPARP15PARP10STING1TP53
SCHEMBL6687864 0.69 MAOB (0.45) MEN1KMT2ALMNASMN1; SMN2PARP15

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-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 WO disclosed