SCHEMBL23401710

SCHEMBL23401710

CCc1c(-c2ccccc2)c(O)nn1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A3 Q92570 1/20 0.44
NPC1 O15118 6/20 0.44
RAB9A P51151 6/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
FABP4 P15090 5/20 0.43
FABP3 P05413 4/20 0.43
FABP5 Q01469 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
FABP1 P07148 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 2/20 0.39
MEN1 O00255 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.38
NFKB1 P19838 1/20 0.38

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
SCHEMBL23403101 0.91 NPC1 (0.43) NR4A3NPC1RAB9ASMN1; SMN2FABP4
SCHEMBL23401336 0.91 NPC1 (0.42) NR4A3NPC1RAB9ASMN1; SMN2FABP4
SCHEMBL23399550 0.88 USP2 (0.44) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL23403399 0.87 RPA1 (0.47) NPC1RAB9ASMN1; SMN2FABP4FABP3
SCHEMBL23403135 0.87 RPA1 (0.48) NPC1RAB9ASMN1; SMN2FABP4FABP3
SCHEMBL23403272 0.85 CNR1 (0.47) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL20054832 0.83 FABP4 (0.53) NR4A3NPC1RAB9ASMN1; SMN2FABP4
SCHEMBL23402222 0.83 CACNA1H (0.43) NPC1RAB9ASMN1; SMN2MAPTTP53
SCHEMBL23400595 0.83 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2LMNATSHR
SCHEMBL23398720 0.82 FABP4 (0.46) FABP4FABP3FABP5LMNATSHR

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
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed