SCHEMBL23401154

SCHEMBL23401154

Cc1nn(C)c(O)c1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
CDK8 P49336 1/20 0.56
ACVR1 Q04771 1/20 0.56
NPC1 O15118 8/20 0.46
RAB9A P51151 8/20 0.46
SMN1; SMN2 Q16637 7/20 0.46
HPGD P15428 3/20 0.45
CREBBP Q92793 1/20 0.43
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
KDM4E B2RXH2 2/20 0.42
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
HCRTR1 O43613 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
GAA P10253 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 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
SCHEMBL23399050 0.85 MAPT (0.44) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL17290362 0.81 TP53 (0.51) MAPTCDK8SMN1; SMN2KDM4ETP53
SCHEMBL23398997 0.80 DHFR (0.42) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL17295117 0.80 MAPT (0.41) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL17290531 0.80 MAPT (0.41) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL20320421 0.80 MAPT (0.67) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL17290590 0.80 NR1H4 (0.51) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL17290370 0.78 PDE1A (0.47) MAPTCDK8ACVR1NPC1RAB9A
SCHEMBL14132909 0.78 SMN1; SMN2 (0.65) MAPTNPC1RAB9ASMN1; SMN2HPGD
SCHEMBL23398491 0.78 GAA (0.48) MAPTCDK8ACVR1NPC1RAB9A

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