SCHEMBL23905641

SCHEMBL23905641

COc1cc(C(=O)NCC(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(CF)CF)C(F)F)cc2cc(C(F)F)cnc12

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX7 Q99572 3/20 0.32
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCB1 P08183 1/20 0.31
ABCC1 P33527 1/20 0.31
HSP90AA1 P07900 1/20 0.30
WNT3A P56704 1/20 0.30
GABRA5 P31644 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
SCHEMBL23905254 0.89 POLB (0.32) LMNATP53ALDH1A1SMN1; SMN2POLB
SCHEMBL23905961 0.85 MAPT (0.32) TP53
SCHEMBL23905694 0.84 GABRA5 (0.31) LMNATP53ABCB1ABCC1GABRA5
SCHEMBL23905633 0.84 GABRA5 (0.31) LMNATP53ABCB1ABCC1GABRA5
SCHEMBL23905318 0.84 GABRA5 (0.32) GABRA5
SCHEMBL23904795 0.84 GABRA5 (0.32) GABRA5
SCHEMBL23905869 0.83 GABRA5 (0.32) LMNATP53ALDH1A1SMN1; SMN2P2RX7
SCHEMBL23905959 0.82 MAPT (0.34) TP53POLB
SCHEMBL23905782 0.81 POLB (0.32) ALDH1A1SMN1; SMN2POLBKMT2A
SCHEMBL23905547 0.80 LMNA (0.32) LMNATP53ALDH1A1SMN1; 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-2021198981-A1 ANTIVIRAL COMPOUNDS AND USES THEREOF Janssen Biopharma, Inc. (US) 2021-10-07 WO disclosed