SCHEMBL31147824

SCHEMBL31147824

Cc1cc(-c2ccccc2-c2ccc(N)c(C)c2)ccc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
CYP3A4 P08684 6/20 0.70
TDP1 Q9NUW8 6/20 0.70
TSHR P16473 4/20 0.70
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
CTSD P07339 1/20 0.43
BACE1 P56817 1/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
HAVCR2 Q8TDQ0 1/20 0.41
APP P05067 2/20 0.41

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
SCHEMBL28326908 1.00 ALDH1A1 (0.70) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL31601431 0.92 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL5888553 0.91 CYP3A4 (0.64) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL3789866 0.91 ALDH1A1 (0.64) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL23137320 0.84 CYP3A4 (0.73) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL3784935 0.84 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL30839740 0.84 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL3789626 0.84 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL31607636 0.84 CYP3A4 (0.59) ALDH1A1CYP3A4TDP1TSHRSMN1; SMN2
SCHEMBL28456458 0.83 ALDH1A1 (0.53) ALDH1A1CYP3A4TDP1TSHRHSD17B10

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
WO-2024201211-A1 ADHESIVE-ATTACHED METAL SUBSTRATE, AND LAMINATE 藤森工業株式会社 2024-10-03 WO disclosed