SCHEMBL23399541

SCHEMBL23399541

Cc1ccc(-c2c(O)nn(C)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.38
TDP2 O95551 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
CNR1 P21554 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
ESRRA P11474 1/20 0.35
KDM2B Q8NHM5 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
USP7 Q93009 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MITF O75030 1/20 0.33
KDM5A P29375 1/20 0.33

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
SCHEMBL23402647 0.93 TDP1 (0.46) GRM5TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23399699 0.93 TDP1 (0.46) GRM5TDP1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23403402 0.86 TGFBR1 (0.41) GRM5TDP2TDP1ESRRASMN1; SMN2
SCHEMBL10356261 0.83 GRM5 (0.45) GRM5TDP2SIRT1CNR1TDP1
SCHEMBL23399504 0.83 HTR7 (0.38) TDP2SIRT1ESRRAALDH1A1SMN1; SMN2
SCHEMBL23402711 0.83 MAPT (0.44) GRM5SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL23400807 0.82 MAPT (0.42) GRM5TDP2TDP1ESRRAALDH1A1
SCHEMBL6289612 0.80 MAPT (0.50) ESRRAALDH1A1SMN1; SMN2MEN1NPC1
SCHEMBL23403297 0.79 SMN1; SMN2 (0.42) ALDH1A1SMN1; SMN2MEN1NPC1RAB9A
SCHEMBL23403589 0.77 MAPT (0.41) CNR1ALDH1A1SMN1; SMN2RAB9AMAPT

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