SCHEMBL29948904

SCHEMBL29948904

O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(Cl)ccc1O

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 9/20 0.83
CYP2C9 P11712 4/20 0.83
CYP3A4 P08684 3/20 0.83
CYP2C19 P33261 3/20 0.83
MEN1 O00255 2/20 0.83
KMT2A Q03164 2/20 0.83
CYP1A2 P05177 2/20 0.83
MAPT P10636 1/20 0.83
TSHR P16473 1/20 0.83
NFKB1 P19838 1/20 0.83
BLM P54132 1/20 0.83
PMP22 Q01453 1/20 0.83
KCNMA1 Q12791 1/20 0.83
NPSR1 Q6W5P4 1/20 0.83
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.46
CA9 Q16790 1/20 0.46
CYP2D6 P10635 2/20 0.44
OPRM1 P35372 1/20 0.41

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
SCHEMBL29748943 1.00 HSP90AA1 (0.83) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL3102522 1.00 HSP90AA1 (0.83) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL5632986 0.95 HSP90AA1 (0.83) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL2820871 0.91 HSP90AA1 (1.00) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL29598579 0.91 HSP90AA1 (1.00) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL29630342 0.91 HSP90AA1 (1.00) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL8917622 0.89 HSP90AA1 (0.65) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL5631019 0.87 HSP90AA1 (0.60) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL5428658 0.86 HSP90AA1 (0.65) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1
SCHEMBL5433239 0.86 HSP90AA1 (0.65) HSP90AA1CYP2C9CYP3A4CYP2C19MEN1

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-111867634-B Enhancement of translocation of micro/nanoparticles across mucus layers using alginate oligomers 阿尔吉法玛公司 2024-06-11 CN disclosed
EP-4031134-A1 METHODS OF TREATMENT AND/OR PREVENTION OF DISORDERS AND SYMPTOMS RELATED TO BKCA AND/OR SK CHANNELOPHATHIES UNIVERSITE DE BORDEAUX (FR) 2022-07-27 EP disclosed