SCHEMBL30731337

SCHEMBL30731337

C=Cc1ccc(CN2C=CN(CCCN)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.35
▸ TP53 P04637 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ F2R P25116 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.30
▸ CYP2D6 P10635 1/20 0.30
▸ PSMD14 O00487 1/20 0.30
▸ XDH P47989 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
Hydrochloric Acid SCHEMBL28977615 0.98 MAPT (0.34) MAPTTP53LMNAF2RCA1
SCHEMBL19362304 0.87 ALDH1A1 (0.44) MAPTTP53LMNAF2RCA1
SCHEMBL1626513 0.87 CA1 (0.39) MAPTTP53LMNACA1CA2
Hydrochloric Acid SCHEMBL28447947 0.85 CA1 (0.38) MAPTTP53LMNACA1CA2
SCHEMBL15901624 0.84 CA1 (0.45) MAPTTP53LMNACA1CA2
Hydrochloric Acid SCHEMBL28887613 0.83 CA1 (0.44) MAPTTP53LMNACA1CA2
SCHEMBL28192748 0.82 CA1 (0.36) MAPTTP53LMNACA1CA2
Boric Acid SCHEMBL27962833 0.82 CA1 (0.36) MAPTTP53LMNACA1CA2
Hydrochloric Acid SCHEMBL30286340 0.82 MAPT (0.36) MAPTTP53LMNAF2RCA1
SCHEMBL28381347 0.80 CA1 (0.42) MAPTTP53LMNACA1CA2

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-115403502-B Ionic liquid-near infrared fluorescent probe hydrogel and preparation method and application thereof 中南民族大学 2024-01-30 — — CN disclosed
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