SCHEMBL5083299

SCHEMBL5083299

c1ccc2cc3c(ccc4cc5ccnnc5cc43)cc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 3/20 0.45
HIF1A Q16665 2/20 0.45
CYP1B1 Q16678 1/20 0.45
HPGD P15428 3/20 0.41
GLA P06280 2/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 2/20 0.41
HTR3A P46098 1/20 0.36
NQO2 P16083 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
PTBP1 P26599 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
RCE1 Q9Y256 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
SCHEMBL1094981 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1AHPGDGLA
SCHEMBL29994991 0.86 ALDH1A1 (0.50) ALDH1A1HSD17B10HIF1AHPGDGLA
SCHEMBL31619715 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL4651081 0.85 ALDH1A1 (0.45) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL15124859 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1AHPGDGLA
SCHEMBL15124134 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10HIF1AHPGDGLA
SCHEMBL241542 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
SCHEMBL29456717 0.81 ALDH1A1 (0.40) ALDH1A1HSD17B10HIF1ACYP1B1HPGD
Cinnoline SCHEMBL29367576 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDGLAMAPT
Cinnoline SCHEMBL8197 0.77 ALDH1A1 (0.50) ALDH1A1HSD17B10HPGDGLAMAPT

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
EP-1909958-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION Universitetet I Oslo (NO) 2008-04-16 EP disclosed
WO-2007007113-A2 METAL-ORGANIC FRAMEWORK CATALYSTS AND THEIR USE IN HYDROCARBON TRANSFORMATION UNIVERSITETET I OSLO (NO) 2007-01-18 WO disclosed