SCHEMBL23958782

SCHEMBL23958782

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

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFTR P13569 3/20 0.35
MAPT P10636 2/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DDR1 Q08345 1/20 0.31
POLB P06746 2/20 0.31
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
HTR4 Q13639 1/20 0.31
KCNH2 Q12809 2/20 0.30
KMT2A Q03164 1/20 0.30
HRH1 P35367 1/20 0.30
CCR3 P51677 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL23958753 0.94 CFTR (0.32) CFTR
SCHEMBL23958894 0.93 CFTR (0.34) CFTRMAPTALDH1A1LMNATP53
SCHEMBL23958775 0.88 ADRA1D (0.36) CFTRMAPTALDH1A1SMN1; SMN2POLB
SCHEMBL23958976 0.88 KDM4E (0.31) CFTRMAPTALDH1A1POLBKDM4E
SCHEMBL23958802 0.86 CFTR (0.34) CFTRMAPTALDH1A1POLBKDM4E
SCHEMBL23958792 0.84 CFTR (0.33) CFTRMAPTALDH1A1LMNATP53
SCHEMBL23958812 0.84 CFTR (0.38) CFTRMAPTALDH1A1POLBKDM4E
SCHEMBL23958990 0.82 CFTR (0.33) CFTRMAPTALDH1A1LMNATP53
SCHEMBL23958810 0.81 CFTR (0.34) CFTRMAPTLMNATP53SMN1; SMN2
SCHEMBL23958779 0.80 MAPT (0.33) MAPTALDH1A1LMNATP53SMN1; SMN2

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