SCHEMBL28355346

SCHEMBL28355346

CN(C)c1ccc2c(c1)N(Cl)c1cc(N)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ ALOX15 P16050 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ AKT1 P31749 1/20 0.35
▸ P2RX4 Q99571 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ RXFP1 Q9HBX9 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ APLNR P35414 1/20 0.30

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
SCHEMBL13891631 0.80 GNG2 (0.43) ALDH1A1ALOX15TP53CYP3A4MAPK1
SCHEMBL16385874 0.76 ALDH1A1 (0.50) ALDH1A1ALOX15TP53CYP3A4MAPK1
SCHEMBL3899307 0.74 ALDH1A1 (0.47) ALDH1A1ALOX15TP53CYP3A4MAPK1
Sulfuric Acid SCHEMBL31536708 0.74 GNG2 (0.38) ALDH1A1ALOX15TP53CYP3A4MAPK1
SCHEMBL3924699 0.71 TDP1 (0.44) ALDH1A1ALOX15TP53CYP3A4MAPK1
SCHEMBL3906581 0.71 CYP19A1 (0.34) ALDH1A1ALOX15TP53CYP3A4MAPK1
SCHEMBL3899878 0.70 MEN1 (0.42) ALDH1A1ALOX15TDP1MEN1KMT2A
SCHEMBL3896104 0.69 ELANE (0.38) ALDH1A1ALOX15TDP1AKT1MEN1
SCHEMBL4074621 0.68 GNG2 (0.49) ALDH1A1MAPK1TDP1AKT1P2RX4
SCHEMBL10533608 0.67 ALDH1A1 (0.48) ALDH1A1ALOX15TP53CYP3A4MAPK1

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-110623850-A Tattooing ink and tattooing patch capable of realizing lasting water transfer printing 英曼医疗电子仪器(苏州)有限公司 2019-12-31 — — CN claimed
CN-110623850-A Tattooing ink and tattooing patch capable of realizing lasting water transfer printing 英曼医疗电子仪器(苏州)有限公司 2019-12-31 — — CN disclosed
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