SCHEMBL22792003

SCHEMBL22792003

COc1cc(NC(=O)c2cccnc2)cnn1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.63
TSHR P16473 2/20 0.63
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 1/20 0.58
HIF1A Q16665 1/20 0.58
ROCK2 O75116 1/20 0.57
ROCK1 Q13464 1/20 0.57
RAB9A P51151 5/20 0.56
ALDH1A1 P00352 3/20 0.56
KCNK3 O14649 1/20 0.56
MAPT P10636 2/20 0.55
PIM1 P11309 1/20 0.54
PIM3 Q86V86 1/20 0.54
PIM2 Q9P1W9 1/20 0.54
POLB P06746 1/20 0.54
NPC1 O15118 3/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL23015729 0.84 TDP1 (0.66) SMN1; SMN2TSHRTDP1LMNAHIF1A
SCHEMBL23015731 0.81 RAB9A (0.62) SMN1; SMN2TDP1LMNAHIF1AROCK2
SCHEMBL22792276 0.80 SMN1; SMN2 (0.76) SMN1; SMN2TSHRTDP1LMNAHIF1A
SCHEMBL14339876 0.80 SMN1; SMN2 (0.64) SMN1; SMN2TSHRLMNAHIF1AROCK2
SCHEMBL11195433 0.78 KMT2A (0.80) SMN1; SMN2TSHRLMNAHIF1AROCK2
SCHEMBL22792295 0.77 RAB9A (0.55) SMN1; SMN2RAB9AMAPTPOLBNPC1
SCHEMBL4653584 0.77 SMN1; SMN2 (1.00) SMN1; SMN2TSHRTDP1LMNAHIF1A
SCHEMBL14880158 0.75 RAB9A (0.70) SMN1; SMN2TSHRTDP1LMNAHIF1A
SCHEMBL23015732 0.75 TDP1 (0.78) SMN1; SMN2TSHRTDP1LMNAHIF1A
SCHEMBL1571386 0.75 LMNA (1.00) TDP1LMNAHIF1AROCK2ROCK1

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-2020252229-A2 INHIBITORS OF SARM1 DISARM THERAPEUTICS, INC. (US) 2020-12-17 WO disclosed