SCHEMBL27483855

SCHEMBL27483855

NCc1ccc(NC(=O)c2ccccc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.64
PTGS1 P23219 2/20 0.61
PLG P00747 6/20 0.61
KLK1 P06870 6/20 0.61
KLK6 Q92876 6/20 0.61
FADS1 O60427 3/20 0.56
ABCB1 P08183 1/20 0.54
ABCG2 Q9UNQ0 1/20 0.54
KMT2A Q03164 1/20 0.53
P2RX1 P51575 1/20 0.52
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51

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
SCHEMBL17744848 0.88 PTGS1 (0.75) PTGS1FADS1KMT2AP2RX1NPC1
SCHEMBL27484183 0.86 FADS1 (0.60) KLKB1PTGS1PLGKLK1KLK6
SCHEMBL5853912 0.84 FFAR1 (0.69) PTGS1FADS1ABCB1ABCG2KMT2A
SCHEMBL12700210 0.84 ALDH1A1 (0.69) KLKB1PLGKLK1KLK6KMT2A
SCHEMBL30830441 0.83 PTGS1 (0.69) PTGS1FADS1KMT2AP2RX1NPC1
SCHEMBL2127535 0.83 PTGS1 (0.69) PTGS1FADS1KMT2AP2RX1NPC1
SCHEMBL1140055 0.83 PTGS1 (0.68) PTGS1FADS1KMT2AP2RX1NPC1
SCHEMBL7075705 0.83 MEN1 (0.75) KLKB1PLGKLK1KLK6KMT2A
SCHEMBL4958043 0.82 HPGD (0.63) PTGS1FADS1ABCB1ABCG2KMT2A
SCHEMBL27541341 0.82 PTGS1 (0.56) PTGS1FADS1ABCB1ABCG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101355946-B Compounds for modulating TRPV3 function HYDRA BIOSCIENCES INC 2013-05-08 CN disclosed
CN-101355946-A Compounds for modulating TRPV3 function HYDRA BIOSCIENCES INC (US) 2009-01-28 CN disclosed
CN-1152014-C N-aryl (thio) anthranilic acid amide derivatives, their prepn. and their use as VEGF receptor tyrosine kinase inhibitors ��˹��ŵ�� 2004-06-02 CN disclosed