SCHEMBL23399671

SCHEMBL23399671

Cc1cccc(-n2nc(O)c(-c3ccccc3)c2C(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPA1 P27694 1/20 0.48
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
TP53 P04637 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GRM5 P41594 1/20 0.38
ADORA1 P30542 1/20 0.38
PLK1 P53350 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL23402100 0.92 ALDH1A1 (0.40) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399428 0.87 NPC1 (0.44) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399198 0.85 SMN1; SMN2 (0.42) ALDH1A1L3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL23403624 0.85 NPC1 (0.43) ALDH1A1RAB9ANPC1SMN1; SMN2KCNJ6
SCHEMBL23401423 0.83 RPA1 (0.52) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23399608 0.82 RPA1 (0.51) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23400551 0.82 ALDH1A1 (0.45) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23398386 0.82 RPA1 (0.48) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23401472 0.81 RPA1 (0.50) RPA1ALDH1A1L3MBTL1RAB9ANPC1
SCHEMBL23403236 0.81 RPA1 (0.45) RPA1ALDH1A1L3MBTL1RAB9ANPC1

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