SCHEMBL23958779

SCHEMBL23958779

COc1cc(C(=O)NCC(c2cc(C)c(F)c(-c3ccc(F)cc3)n2)C2CC2)cc(/C=C(\N)C2CC2)c1N

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
KMT2A Q03164 1/20 0.32
KLKB1 P03952 4/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
CTSA P10619 1/20 0.31
ABCB1 P08183 1/20 0.31
ABL1 P00519 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
SCHEMBL23958703 0.84 CFTR (0.32) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23958782 0.80 CFTR (0.35) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23958894 0.79 CFTR (0.34) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23905608 0.78 POLB (0.31) MAPTPOLBKMT2A
SCHEMBL23958792 0.77 CFTR (0.33) MAPTALDH1A1LMNATP53SMN1; SMN2
SCHEMBL23958775 0.77 ADRA1D (0.36) MAPTALDH1A1SMN1; SMN2POLBKDM4E
SCHEMBL23958976 0.77 KDM4E (0.31) MAPTALDH1A1POLBKDM4ERECQL
SCHEMBL23958808 0.75
SCHEMBL23958802 0.75 CFTR (0.34) MAPTALDH1A1POLBKMT2AKDM4E
SCHEMBL23958812 0.72 CFTR (0.38) MAPTALDH1A1POLBKMT2ACNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021214136-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2021-10-28 WO disclosed