SCHEMBL23328236

SCHEMBL23328236

c1ccc2nc3cc(-c4cn5c(n4)sc4ccccc45)ccc3nc2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
FLT3 P36888 1/20 0.47
THRB P10828 1/20 0.46
APP P05067 1/20 0.44
MET P08581 3/20 0.42
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TNKS2 Q9H2K2 1/20 0.41
PARP2 Q9UGN5 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
SCHEMBL84416 0.82 RAB9A (0.64) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL13650900 0.80 LMNA (0.55) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL10806421 0.80 MAPT (0.52) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL2564592 0.80 THRB (0.56) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL9569337 0.80 MAPT (0.52) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL74089 0.80 MAPT (0.52) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL9569335 0.80 THRB (0.53) RAB9ASMN1; SMN2MAPTLMNATP53
Hydrochloric Acid SCHEMBL11010648 0.80 MAPT (0.49) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL11011725 0.79 MAPT (0.51) RAB9ASMN1; SMN2MAPTLMNATP53
SCHEMBL5909037 0.78 LMNA (0.53) RAB9ASMN1; SMN2MAPTLMNATP53

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-2021087056-A1 IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2021-05-06 WO disclosed