SCHEMBL28337702

SCHEMBL28337702

CN(C)c1ccc2c(C(=O)C=O)c3ccc(N(C)C)cc3cc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 1/20 0.39
▸ APP P05067 1/20 0.39
▸ KDM4E B2RXH2 4/20 0.39
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ ALDH1A1 P00352 4/20 0.36
▸ MAPT P10636 3/20 0.36
▸ HPGD P15428 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ CYP2A13 Q16696 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ HSD17B3 P37058 1/20 0.35
▸ NSD2 O96028 1/20 0.35
▸ SLC16A3 O15427 1/20 0.34
▸ AR P10275 1/20 0.34

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
SCHEMBL28084657 0.74 KMT2A (0.40) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL28175642 0.74 ERN1 (0.45) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL28084655 0.74 ERN1 (0.36) KDM4EALDH1A1HPGDKMT2AMEN1
SCHEMBL27661280 0.71 ALDH1A1 (0.61) KDM4EMAOBALDH1A1MAPTHPGD
SCHEMBL27810256 0.69 ALDH1A1 (0.59) KDM4EMAOBALDH1A1MAPTHPGD
SCHEMBL28140944 0.69 LDHA (0.35) KDM4EMAOBALDH1A1MAPTHSD17B10
SCHEMBL5427708 0.69 ALDH1A1 (0.44) KDM4EALDH1A1MAPTHPGDKMT2A
SCHEMBL27304277 0.69 ALDH1A1 (0.53) KDM4EMAOBALDH1A1MAPTHPGD
SCHEMBL6043900 0.69 NSD2 (0.47) TERTAPPKDM4EMAOAMAOB
SCHEMBL28767893 0.69 PLAU (0.39) KDM4EMAOAALDH1A1MAPTHPGD

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
CN-108864733-B A kind of near-infrared carbon rhodamine fluorescent dyes and its synthetic method 山西大学 2019-11-19 — — CN disclosed
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