SCHEMBL24079307

SCHEMBL24079307

Nc1ccc(-c2cccc(-c3ccccc3)c2)c(-c2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
TAAR1 Q96RJ0 2/20 0.52
CYP3A4 P08684 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
LMNA P02545 4/20 0.41
HPGD P15428 4/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.41
ALOX12 P18054 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
SCHEMBL28053010 0.98 CYP3A4 (0.56) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL24079330 0.98 MAOA (0.59) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL16820316 0.98 MAOA (0.59) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL21582646 0.92 HSD17B10 (0.61) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL29830590 0.92 HSD17B10 (0.61) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL25301803 0.92 HSD17B10 (0.61) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL29658028 0.92 HSD17B10 (0.61) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL29458681 0.90 CYP3A4 (0.65) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL30670342 0.90 CYP3A4 (0.65) MAOATAAR1CYP3A4TDP1HSD17B10
SCHEMBL5459730 0.90 CYP3A4 (0.65) MAOATAAR1CYP3A4TDP1HSD17B10

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
US-11196004-B2 High-molecular-weight compound having substituted triarylamine skeleton HODOGAYA CHEMICAL CO., LTD. (JP) 2021-12-07 US disclosed