SCHEMBL28406487

SCHEMBL28406487

c1ccc2c(c1)[N]c1ccc3ccccc3c1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNMT1 P26358 1/20 0.44
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP2A6 P11509 2/20 0.42
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HPRT1 P00492 1/20 0.39
MAPT P10636 2/20 0.38
WDR5 P61964 1/20 0.37
HIF1A Q16665 1/20 0.37
CYP1B1 Q16678 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NSD2 O96028 1/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
HKDC1 Q2TB90 1/20 0.35
SOS1 Q07889 1/20 0.35

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
SCHEMBL2470535 1.00 DNMT1 (0.44) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL14964628 0.72 ALDH1A1 (0.42) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1818501 0.72 KDM4E (0.41) DNMT1ALDH1A1HSD17B10TDP1MAPT
SCHEMBL2961439 0.71 MCL1 (0.45) ALDH1A1HSD17B10TSHRTDP1MAPT
SCHEMBL24062 0.69 MEN1 (0.37) DNMT1ALDH1A1HSD17B10TSHRTDP1
SCHEMBL2963169 0.69 MCL1 (0.47) ALDH1A1HSD17B10TSHRTDP1MAPT
SCHEMBL14777719 0.68 DNMT1 (0.64) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
Phenanthrene SCHEMBL4879064 0.67 ALDH1A1 (0.80) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5047700 0.67 DNMT1 (0.69) DNMT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31045609 0.67 DNMT1 (0.69) DNMT1ALDH1A1HSD17B10CYP2A6TSHR

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-111206262-B Synthesis method of N-phosphino-substituted carbazole and indole derivatives 新疆大学 2021-12-07 CN disclosed
CN-111206262-A Synthesis method of N-phosphino-substituted carbazole and indole derivatives 新疆大学 2020-05-29 CN disclosed