SCHEMBL28997738

SCHEMBL28997738

Nc1ccc(N=Nc2ccc(N)cc2)cc1.Nc1cccc(C(=O)Nc2ccccc2)c1N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.53
▸ KMT2A Q03164 6/20 0.53
▸ MAPT P10636 5/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ SMN1; SMN2 Q16637 3/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ MAPK1 P28482 1/20 0.53
▸ FADS1 O60427 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PRKCI P41743 1/20 0.46
▸ HTT P42858 3/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ PTGS1 P23219 2/20 0.44

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
SCHEMBL392794 0.87 ALDH1A1 (0.59) MEN1KMT2ARAB9ASMN1; SMN2TDP1
Benzidine SCHEMBL8535004 0.86 FADS1 (0.49) MEN1KMT2ASMN1; SMN2TDP1FADS1
Hydrochloric Acid SCHEMBL11743648 0.85 ALDH1A1 (0.58) MEN1KMT2ARAB9ASMN1; SMN2TDP1
SCHEMBL29029890 0.83 ALDH1A1 (0.64) MEN1KMT2AMAPTRAB9ATDP1
Terephthalamide SCHEMBL9725048 0.79 HDAC3 (0.54) MEN1KMT2AMAPTTDP1FADS1
SCHEMBL2285472 0.77 PRMT1 (0.66) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL2285475 0.77 PRMT1 (0.66) MEN1KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL5595610 0.76 MEN1 (0.66) MEN1KMT2ATDP1FADS1ALDH1A1
SCHEMBL9812749 0.76 ALDH1A1 (0.50) MEN1KMT2AMAPTSMN1; SMN2TDP1
SCHEMBL30830441 0.76 PTGS1 (0.69) MEN1KMT2AMAPTRAB9ASMN1; SMN2

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-115885211-A Liquid crystal aligning agent, liquid crystal alignment film, and liquid crystal display element 日产化学株式会社 2023-03-31 — — CN disclosed
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