SCHEMBL19838679

SCHEMBL19838679

COc1ccc(Br)c(/[C]=C/F)n1

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SIRT2 Q8IXJ6 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
NNMT P40261 1/20 0.30
CYP1A2 P05177 1/20 0.30
KMT2A Q03164 1/20 0.30
NQO2 P16083 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
SCHEMBL19838003 0.78 TXNRD1 (0.30)
SCHEMBL1010411 0.77 PDE10A (0.39) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL17978166 0.77 POLB (0.33) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL2960317 0.71 POLB (0.33) POLBTDP1NQO2
SCHEMBL31541706 0.70 POLB (0.36) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL19838691 0.69 POLB (0.31) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL30207735 0.69 CYP1A2 (0.41) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL2969903 0.69 CYP1A2 (0.41) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL1460108 0.67 POLB (0.50) POLBTDP1SIRT2SIRT1NNMT
SCHEMBL29850137 0.67 POLB (0.50) POLBTDP1SIRT2SIRT1NNMT

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-3494118-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE Sunshine Lake Pharma Co., Ltd. (CN) 2019-06-12 EP disclosed
WO-2018024224-A1 NITROGEN-CONTAINING TRICYCLIC COMPOUNDS AND USES THEREOF IN MEDICINE SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-02-08 WO disclosed