SCHEMBL23401334

SCHEMBL23401334

Cc1ccc(-c2cc(O)n(-c3ccc(C)cc3)n2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.65
NPC1 O15118 5/20 0.65
RAB9A P51151 5/20 0.65
MAPT P10636 5/20 0.65
KMT2A Q03164 5/20 0.65
MEN1 O00255 4/20 0.65
CYP2C9 P11712 2/20 0.65
TP53 P04637 1/20 0.65
CYP1A2 P05177 1/20 0.65
CYP3A4 P08684 1/20 0.65
CYP2C19 P33261 1/20 0.65
LMNA P02545 5/20 0.59
ALDH1A1 P00352 4/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
STAT1 P42224 1/20 0.59
TSHR P16473 1/20 0.59
POLB P06746 1/20 0.49
HTT P42858 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRM5 P41594 1/20 0.48

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
SCHEMBL23402744 0.93 SMN1; SMN2 (0.69) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL16330805 0.93 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL16336087 0.89 NPC1 (0.54) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL23400304 0.89 MAPT (0.53) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL23402326 0.87 NPC1 (0.58) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL23398458 0.80 DCTPP1 (0.46) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL14400630 0.80 SMN1; SMN2 (0.67) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL11441588 0.79 CYP1A2 (0.47) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL23401834 0.79 ALDH1A1 (0.64) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL8892611 0.78 ESRRA (0.53) SMN1; SMN2NPC1RAB9AMAPTKMT2A

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