SCHEMBL23398457

SCHEMBL23398457

Cc1ccc(-n2nc(O)c(-c3ccccc3)c2C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MAPT P10636 6/20 0.46
TP53 P04637 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
KDM4C Q9H3R0 1/20 0.42
STAT1 P42224 1/20 0.41
CNR1 P21554 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
POLB P06746 1/20 0.40
APEX1 P27695 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MAPK1 P28482 2/20 0.39
LMNA P02545 2/20 0.39
GRM5 P41594 1/20 0.39

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
SCHEMBL23399220 0.94 NPC1 (0.48) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL23398433 0.92 NPC1 (0.51) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23399187 0.92 SMN1; SMN2 (0.44) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23401180 0.86 CYP1A2 (0.47) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23402897 0.85 RAB9A (0.52) SMN1; SMN2NPC1RAB9AMAPTKDM4E
SCHEMBL23400156 0.84 CYP2C9 (0.46) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23399105 0.84 CYP2C9 (0.46) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23401423 0.83 RPA1 (0.52) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23401336 0.82 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMAPTTP53
SCHEMBL23401405 0.81 CYP2C9 (0.49) SMN1; SMN2NPC1RAB9AMAPTTP53

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