SCHEMBL24975608

SCHEMBL24975608

C=N/C(=C\C=N/C)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.33
▸ ATM Q13315 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.30
▸ CES2 O00748 2/20 0.30
▸ CES1 P23141 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NAPRT Q6XQN6 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
SCHEMBL22071486 0.80 CES2 (0.34) AKT1ATMALDH1A1CES2CES1
SCHEMBL19300441 0.79 AKT1 (0.38) AKT1ATMALDH1A1CES2CES1
SCHEMBL19101609 0.78 TSHR (0.32) AKT1ATMALDH1A1CES1MAPK1
SCHEMBL21253891 0.77 AKT1 (0.37) AKT1ATMALDH1A1CES2CES1
SCHEMBL22109788 0.74 ATM (0.40) ATMALDH1A1CES2CES1MAPK1
SCHEMBL22593319 0.74 ELANE (0.33) CES2CES1MAPK1
SCHEMBL20908860 0.73 MEN1 (0.32) AKT1ATMMAPK1
SCHEMBL24098444 0.73 ALDH1A1 (0.33) ALDH1A1MAPK1TDP1
SCHEMBL19046658 0.72 AKT1 (0.37) AKT1ALDH1A1MAPK1TDP1DAO
SCHEMBL24384527 0.72 AKT1 (0.42) AKT1ATMALDH1A1CES2CES1

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-4122929-A1 NOVEL COMPOUNDS Mission Therapeutics Limited (GB) 2023-01-25 — — EP disclosed
Send feedback