SCHEMBL1646236

SCHEMBL1646236

c1cc(-c2c[nH]nn2)cc(-c2c[nH]nn2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GP6 Q9HCN6 1/20 0.37
AKT1 P31749 1/20 0.35
AKT2 P31751 1/20 0.35
HSD17B1 P14061 2/20 0.33
HSD17B2 P37059 2/20 0.33
IDO1 P14902 8/20 0.32
METAP2 P50579 5/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A1 P04798 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2E1 P05181 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP4B1 P13584 1/20 0.31
CYP2B6 P20813 1/20 0.31
CYP3A5 P20815 1/20 0.31
CYP2A7 P20853 1/20 0.31

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
SCHEMBL29899236 0.86 IDO1 (0.50) IDO1MEN1KMT2A
SCHEMBL4831837 0.86 HSD17B1 (0.53) HSD17B1HSD17B2METAP2CYP1A2CYP3A4
SCHEMBL30212975 0.86 METAP2 (0.50) METAP2ALDH1A1CHEK1MEN1RAB9A
SCHEMBL13896466 0.86 IDO1 (0.50) IDO1MEN1KMT2A
SCHEMBL4313886 0.86 METAP2 (0.50) METAP2ALDH1A1CHEK1MEN1RAB9A
SCHEMBL670668 0.86 IDO1 (0.50) IDO1METAP2ALDH1A1MEN1RAB9A
SCHEMBL917247 0.86 IDO1 (0.46) AKT1AKT2IDO1
SCHEMBL5613019 0.86 METAP2 (0.50) AKT1AKT2IDO1METAP2
SCHEMBL7520387 0.86 AKT1 (0.31) AKT1AKT2
SCHEMBL29746032 0.86 IDO1 (0.50) IDO1METAP2ALDH1A1MEN1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024259294-A2 PROTEOMIMETIC SCAFFOLDS AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-12-19 WO claimed
WO-2024259294-A2 PROTEOMIMETIC SCAFFOLDS AND USES THEREOF NEW YORK UNIVERSITY (US) 2024-12-19 WO disclosed
WO-2011050003-A2 AIR-STABLE, BLUE LIGHT EMITTING CHEMICAL COMPOUNDS UNIVERSITY OF MISSISSIPPI (US) 2011-04-28 WO disclosed