SCHEMBL30783418

SCHEMBL30783418

C=CCCC1=CC=CCN1c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.30
MEN1 O00255 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 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
SCHEMBL1618124 0.70 SIGMAR1 (0.32) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL28060781 0.65 NPC1 (0.36) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL30783409 0.63 ALDH1A1 (0.41) SIGMAR1
SCHEMBL5229204 0.62 NPC1 (0.38) SIGMAR1MEN1NPC1RAB9AKMT2A
SCHEMBL30783441 0.60 SIGMAR1 (0.40) SIGMAR1RAB9A
SCHEMBL49747 0.60 ALDH1A1 (0.48) SIGMAR1
SCHEMBL7572069 0.58 ALDH1A1 (0.46) SIGMAR1
Ammonia Solution, Strong SCHEMBL11487919 0.58 ALDH1A1 (0.46) SIGMAR1
SCHEMBL16681696 0.58 ALDH1A1 (0.46) SIGMAR1
SCHEMBL28658494 0.58 ALDH1A1 (0.46) SIGMAR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117624043-A Preparation method of quinolinone compound 安徽中医药大学 2024-03-01 CN claimed
CN-117624043-A Preparation method of quinolinone compound 安徽中医药大学 2024-03-01 CN disclosed