SCHEMBL31392809

SCHEMBL31392809

Fc1ccc(Cn2c(-c3nnco3)cc3ccc(Cl)cc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 4/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
PTGS2 P35354 1/20 0.39
CCR2 P41597 2/20 0.37
IDO1 P14902 1/20 0.37
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
CCR9 P51686 4/20 0.36
TBXA2R P21731 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
RHEB Q15382 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
SCHEMBL31392747 0.83 NOTUM (0.40) NOTUMRAB9AIDO1TSHRMAPK1
SCHEMBL31392753 0.83 NOTUM (0.47) NOTUMALDH1A1HTTCCR9
SCHEMBL31392717 0.80 NOTUM (0.39) NOTUM
SCHEMBL31392746 0.80 NOTUM (0.44) NOTUMRAB9AALDH1A1CCR9
SCHEMBL31392762 0.78 NOTUM (0.42) NOTUMRAB9ATSHRMAPK1ALDH1A1
SCHEMBL31392721 0.78 NOTUM (0.39) NOTUM
SCHEMBL2925335 0.76 PTGS2 (0.56) NOTUMRAB9ANPC1PTGS2CCR2
SCHEMBL31392807 0.75 NOTUM (0.46) NOTUMALDH1A1
SCHEMBL13628824 0.75 RAB9A (0.36) NOTUMRAB9ANPC1PTGS2TSHR
SCHEMBL31392808 0.74 LMNA (0.42) NOTUMRAB9ANPC1IDO1TSHR

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-119350315-A 2- (1H-indole-2-yl) -1,3, 4-oxadiazole derivatives, and preparation method and application thereof 南开大学 2025-01-24 CN claimed
CN-119350315-A 2- (1H-indole-2-yl) -1,3, 4-oxadiazole derivatives, and preparation method and application thereof 南开大学 2025-01-24 CN disclosed