SCHEMBL23399353

SCHEMBL23399353

CCn1nc(-c2ccccc2C)c(-c2ccc(C)cc2)c1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 4/20 0.38
ESR1 P03372 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
NPC1 O15118 3/20 0.34
LMNA P02545 1/20 0.34
GLA P06280 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 1/20 0.34
HPGDS O60760 1/20 0.33
PKM P14618 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
SCHEMBL23403273 0.92 SMN1; SMN2 (0.41) TP53MAPTESR1TRPM8ALDH1A1
SCHEMBL23402023 0.90 ESR1 (0.46) TP53MAPTPOLBRAB9AESR1
SCHEMBL23398659 0.85 SMN1; SMN2 (0.48) TP53MAPTPOLBRAB9AALDH1A1
SCHEMBL23402116 0.85 SMN1; SMN2 (0.48) TP53MAPTPOLBRAB9AALDH1A1
SCHEMBL23401160 0.84 RAB9A (0.40) MAPTRAB9AESR1ALDH1A1SMN1; SMN2
SCHEMBL23402710 0.82 MAPT (0.42) TP53MAPTPOLBRAB9AALDH1A1
SCHEMBL23403292 0.81 ESR1 (0.48) MAPTESR1ALDH1A1SMN1; SMN2MEN1
SCHEMBL23402613 0.80 TRPM8 (0.38) MAPTPOLBRAB9AESR1TRPM8
SCHEMBL23400707 0.80 MAPT (0.40) TP53MAPTPOLBRAB9AESR1
SCHEMBL23401161 0.80 MAPT (0.43) TP53MAPTPOLBRAB9AESR1

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