SCHEMBL24349441

SCHEMBL24349441

C=C(CC)CCC(N)CCC

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.42
▸ METAP1 P53582 2/20 0.33
▸ ANPEP P15144 1/20 0.30
▸ ENPEP Q07075 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ S1PR3 Q99500 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
SCHEMBL12696036 0.79 ALDH1A1 (0.44) ALDH1A1METAP1ANPEPENPEPS1PR2
SCHEMBL23986078 0.78 ALDH1A1 (0.30) ALDH1A1
SCHEMBL26024961 0.76 — —
SCHEMBL25667496 0.74 — —
SCHEMBL284709 0.74 — —
SCHEMBL25666985 0.73 — —
SCHEMBL24267043 0.71 ALDH1A1 (0.50) ALDH1A1METAP1ENPEPS1PR2S1PR1
Ammonia Solution, Strong SCHEMBL17156481 0.71 — —
Hydrochloric Acid SCHEMBL6263417 0.71 — —
SCHEMBL28803333 0.71 ALDH1A1 (0.46) ALDH1A1METAP1S1PR2S1PR1S1PR3

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
EP-3567041-A9 SUBSTITUTED FUSED HETEROARYL COMPOUND SERVING AS A KINASE INHIBITOR, AND APPLICATIONS THEREOF Impact Therapeutics (Shanghai), Inc (CN) 2022-04-20 — — EP disclosed
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