SCHEMBL30465779

SCHEMBL30465779

COc1ccc(CNc2ccc(C(N)=O)cn2)cc1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 7/20 0.70
HDAC1 Q13547 4/20 0.65
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
KMT2A Q03164 1/20 0.58
NNMT P40261 1/20 0.52
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
PARP1 P09874 1/20 0.51
PARP10 Q53GL7 1/20 0.51
PARP2 Q9UGN5 1/20 0.51
PARP4 Q9UKK3 1/20 0.51
HDAC3 O15379 1/20 0.51
HDAC2 Q92769 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
OPRM1 P35372 1/20 0.50
OPRD1 P41143 1/20 0.50
OPRK1 P41145 1/20 0.50

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
SCHEMBL14920974 0.88 VNN1 (0.64) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL11563704 0.88 VNN1 (0.64) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL17602245 0.83 HDAC1 (0.57) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL18286294 0.82 VNN1 (1.00) VNN1
SCHEMBL2308761 0.81 NPC1 (0.68) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL1060807 0.80 HDAC1 (1.00) HDAC1HDAC3HDAC2HDAC8HDAC6
SCHEMBL1503083 0.80 ALDH1A1 (0.64) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL30592887 0.79 NPC1 (0.61) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL21327511 0.79 NPC1 (0.61) VNN1HDAC1NPC1RAB9AKMT2A
SCHEMBL30490235 0.79 NNMT (0.59) VNN1NNMTCA1CA2PARP1

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-4448510-A1 INHIBITORS OF MET KINASE Kinnate Biopharma Inc. (US) 2024-10-23 EP disclosed
WO-2023114809-A1 INHIBITORS OF MET KINASE KINNATE BIOPHARMA INC. (US) 2023-06-22 WO disclosed