SCHEMBL11882195

SCHEMBL11882195

CN(C)N=Nc1ccccc1C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.50
▸ HPGD P15428 10/20 0.50
▸ KDM4E B2RXH2 9/20 0.50
▸ SMN1; SMN2 Q16637 4/20 0.50
▸ MAPT P10636 3/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ HSD17B10 Q99714 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ LMNA P02545 6/20 0.47
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ USP2 O75604 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ UBE2I P63279 1/20 0.43
▸ SAE1 Q9UBE0 1/20 0.43
▸ UBA2 Q9UBT2 1/20 0.43
▸ MYC P01106 1/20 0.43
▸ TSHR P16473 3/20 0.42
▸ PBRM1 Q86U86 1/20 0.41

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
SCHEMBL14577778 1.00 ALDH1A1 (0.50) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL3412059 0.84 MYC (0.59) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL14577803 0.83 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL15131272 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL28619469 0.82 ALDH1A1 (0.58) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL14577834 0.81 CTSD (0.46) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL14577739 0.81 ALDH1A1 (0.44) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL14577785 0.79 LMNA (0.43) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL14577777 0.79 ALDH1A1 (0.45) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT
SCHEMBL2455021 0.77 ALDH1A1 (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2MAPT

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-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 — — CN disclosed
US-3932633-A Novel o-triazenobenzamides, in treating aggressive behavior UNIROYAL INC. (US) 1976-01-13 — — US disclosed
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