SCHEMBL22798652

SCHEMBL22798652

CS(=O)(=O)OC1CC(OCc2ccccc2)C1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
PDPK1 O15530 1/20 0.41
MTOR P42345 1/20 0.41
PSEN1 P49768 4/20 0.41
PSEN2 P49810 4/20 0.41
APH1B Q8WW43 4/20 0.41
NCSTN Q92542 4/20 0.41
APH1A Q96BI3 4/20 0.41
PSENEN Q9NZ42 4/20 0.41
KCNA5 P22460 1/20 0.39
NPC1 O15118 1/20 0.38
AR P10275 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
CYP2C19 P33261 1/20 0.37
PTPN1 P18031 1/20 0.37
CA1 P00915 1/20 0.37

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
SCHEMBL24898571 0.85 PSEN1 (0.41) BCHEACHEPDPK1MTORPSEN1
SCHEMBL30190089 0.85 PSEN1 (0.41) BCHEACHEPDPK1MTORPSEN1
SCHEMBL22527530 0.83 AR (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL22527528 0.83 AR (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL22527529 0.83 AR (0.44) BCHEACHEPSEN1PSEN2APH1B
SCHEMBL10480714 0.81 PDPK1 (0.51) BCHEACHEPDPK1MTORNPC1
SCHEMBL21806792 0.81 KCNA5 (0.51) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL21806790 0.81 KCNA5 (0.51) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL21806791 0.81 KCNA5 (0.51) BCHEPSEN1PSEN2APH1BNCSTN
SCHEMBL9895268 0.80 CTSL (0.38) PDPK1MTORPSEN1PSEN2APH1B

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-3799872-A1 TETRAHYDROQUINOLINE DERIVATIVES FOR USE AS BET INHIBITORS Forma Therapeutics, Inc. (US) 2021-04-07 EP disclosed
EP-3071203-B1 TETRAHYDROQUINOLINE COMPOSITIONS AS BET BROMODOMAIN INHIBITORS FORMA THERAPEUTICS INC (US) 2020-12-23 EP disclosed