SCHEMBL23399765

SCHEMBL23399765

CCCCc1c(O)cnn1-c1cccc(C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.46
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
PAX8 Q06710 1/20 0.46
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 2/20 0.41
POLB P06746 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.40
BLM P54132 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 2/20 0.40

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
SCHEMBL23398688 0.92 NPC1 (0.48) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23402637 0.86 NPC1 (0.47) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23402049 0.84 NR4A3 (0.50) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23402558 0.83 ALDH1A1 (0.42) LMNANPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL23403141 0.81 LMNA (0.46) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23402757 0.80 NPC1 (0.45) LMNANPC1RAB9APAX8KMT2A
SCHEMBL23399388 0.78 ALDH1A1 (0.41) LMNANPC1RAB9APAX8SMN1; SMN2
SCHEMBL23400954 0.78 ALDH1A1 (0.41) LMNANPC1RAB9APAX8SMN1; SMN2
SCHEMBL23399856 0.78 ALDH1A1 (0.44) LMNANPC1RAB9ASMN1; SMN2TP53
SCHEMBL23399056 0.76 NPC1 (0.51) LMNANPC1RAB9APAX8KMT2A

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