SCHEMBL9615237

SCHEMBL9615237

CCN(CC)C(=Cc1ccccc1)c1cc(C(=Cc2ccccc2)N(CC)CC)c(C)c(C=O)c1C

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NPC1 O15118 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 3/20 0.35
CYP2A6 P11509 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34
NR1I2 O75469 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
KDM1A O60341 1/20 0.33
AKR1C3 P42330 1/20 0.33
ABCC1 P33527 1/20 0.32

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
SCHEMBL5709306 0.76 ALDH1A1 (0.47) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL11206642 0.73 NPC1 (0.49) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL12411252 0.73 NPC1 (0.49) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL1533166 0.69 KDM4E (0.42) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL629143 0.69 ALDH1A1 (0.52) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL9804059 0.67 CYP19A1 (0.47) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL51743 0.67 MEN1 (0.42) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL7944757 0.65 ALDH1A1 (0.48) MEN1KMT2AALDH1A1TSHRLMNA
Sulfuric Acid SCHEMBL10585237 0.65 L3MBTL1 (0.47) MEN1KMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL5408079 0.65 L3MBTL1 (0.41) MEN1KMT2ANPC1L3MBTL1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4128255-A None JP disclosed
JP-H04128255-A INTERMEDIATE FOR SYNTHESIZING PHOTOCHROMIC COMPOUND YAMAHA CORP 1992-04-28 JP disclosed