SCHEMBL23905520

SCHEMBL23905520

Cc1cnc2c(OC(F)F)cc(Br)cc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.41
CCR5 P51681 2/20 0.41
CCR8 P51685 2/20 0.41
PSMD14 O00487 1/20 0.37
COPS5 Q92905 1/20 0.37
PRNP P04156 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
KDM4E B2RXH2 1/20 0.34
F2RL3 Q96RI0 7/20 0.34
RXRA P19793 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PDE10A Q9Y233 2/20 0.32
PDE2A O00408 1/20 0.32
NQO2 P16083 1/20 0.32
MBOAT4 Q96T53 1/20 0.32
LMNA P02545 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
SCHEMBL23905909 0.81 ALDH1A1 (0.50) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL25113804 0.81 CCR1 (0.40) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL26577806 0.79 CCR1 (0.39) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL23905484 0.78 CCR1 (0.40) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL23905544 0.77 HCAR2 (0.37) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL26762014 0.77 RXRA (0.33) RXRAGRIN1GRIN2B
SCHEMBL23905543 0.75 ATM (0.42) CCR1CCR5CCR8PSMD14ALDH1A1
SCHEMBL20351059 0.71 PIK3CA (0.39) PRNPNPSR1ALDH1A1MAPTRXFP1
SCHEMBL23905532 0.70 KDM4E (0.56) CCR1CCR5CCR8PSMD14COPS5
SCHEMBL21585394 0.70 RXRA (0.38) RXRAGRIN1GRIN2BMBOAT4HTT

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