SCHEMBL28708183

SCHEMBL28708183

CC(OC(=O)c1cc2ccccc2cc1O)c1ccccc1N

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.49
SMN1; SMN2 Q16637 2/20 0.45
KMT2A Q03164 5/20 0.43
MEN1 O00255 4/20 0.43
MITF O75030 1/20 0.43
GAA P10253 1/20 0.43
NCOA1 Q15788 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NCOA3 Q9Y6Q9 1/20 0.43
MAPK1 P28482 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 2/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
LMNA P02545 2/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 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
SCHEMBL6231650 0.79 CA12 (0.60) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL6975031 0.73 ALDH1A1 (0.39) KMT2AMEN1CYP3A4ALDH1A1KDM4E
SCHEMBL341157 0.73 ALDH1A1 (0.39) KMT2AMEN1CYP3A4ALDH1A1KDM4E
SCHEMBL9657238 0.73 ALDH1A1 (0.39) SMN1; SMN2IRAK4ALDH1A1KDM4ECYP1A2
SCHEMBL31354651 0.71 LMNA (0.60) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL30756694 0.71 LMNA (0.60) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL441907 0.71 LMNA (0.60) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL28806041 0.70 LMNA (0.58) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL29242038 0.69 KMT2A (0.47) MAPTSMN1; SMN2KMT2AMEN1MITF
SCHEMBL5387921 0.69 SMN1; SMN2 (0.59) MAPTSMN1; SMN2KMT2AMEN1MITF

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
CN-114085543-A Application of quaternary ammonium salt derivative in preparation of red pigment, red pigment and preparation method 龙口联合化学股份有限公司 2022-02-25 CN claimed
CN-114085543-A Application of quaternary ammonium salt derivative in preparation of red pigment, red pigment and preparation method 龙口联合化学股份有限公司 2022-02-25 CN disclosed