SCHEMBL31379034

SCHEMBL31379034

Cc1cccc(N(C#N)C#N)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.46
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ HSD17B1 P14061 2/20 0.37
▸ HSD17B2 P37059 2/20 0.37
▸ GFER P55789 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ PAX8 Q06710 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
SCHEMBL7417703 0.81 ACHE (0.44) ACHENPC1RAB9ATDP1MEN1
SCHEMBL11690039 0.77 ALDH1A1 (0.35) ALDH1A1HSP90AA1
SCHEMBL22995498 0.76 KMT2A (0.68) ACHENPC1RAB9ATDP1MEN1
SCHEMBL13158957 0.75 ALDH1A1 (0.41) ACHENPC1RAB9ATDP1MEN1
SCHEMBL977663 0.74 ACHE (0.58) ACHENPC1RAB9ATDP1MEN1
M-Xylene SCHEMBL10785138 0.73 ACHE (0.75) ACHENPC1TDP1CASP3SENP8
Nitrogen SCHEMBL11398968 0.73 ALDH1A1 (0.52) ACHENPC1RAB9ATDP1MEN1
SCHEMBL134721 0.72 ACHE (0.55) ACHENPC1RAB9ATDP1MEN1
SCHEMBL14471127 0.72 ALDH1A1 (0.48) ACHENPC1RAB9ATDP1MEN1
SCHEMBL12879 0.72 ALDH1A1 (0.56) ACHENPC1RAB9ATDP1MEN1

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-119410005-A Preparation method of flexible room-temperature phosphorescent material 桂林理工大学 2025-02-11 — — CN disclosed
Send feedback