SCHEMBL31156743

SCHEMBL31156743

COc1cc(N)cc(CCNC(=O)OC(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
GLA P06280 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
GAA P10253 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
CNR2 P34972 1/20 0.41
NQO2 P16083 1/20 0.41
PTGER4 P35408 1/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
NAMPT P43490 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CYP19A1 P11511 1/20 0.40
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL25808758 1.00 CNR1 (0.46) CNR1CA1CA2GLAKMT2A
SCHEMBL3507902 0.86 DYRK1A (0.43) CA1CA2KMT2ANAMPTSMN1; SMN2
SCHEMBL23684240 0.84 CNR1 (0.43) CNR1CA1CA2GLAKMT2A
SCHEMBL25808897 0.83 CA2 (0.45) CA1CA2KMT2AGAANQO2
SCHEMBL18041406 0.83 KDM4E (0.46) CNR1CA1CA2GLAKMT2A
SCHEMBL31156763 0.83 CA2 (0.45) CA1CA2KMT2AGAANQO2
SCHEMBL6204579 0.80 MTNR1A (0.58) CNR1CA1CA2NPC1RAB9A
SCHEMBL8757522 0.79 GLA (0.67) CA1CA2GLAKMT2ANPC1
SCHEMBL22068709 0.79 DYRK1A (0.47) CA1CA2GLAKMT2ANPC1
SCHEMBL1718277 0.78 NQO2 (0.51) CA1CA2NQO2CA12CA9

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
CN-118829631-A Pyrazine compounds as FLT3 inhibitors 拜欧米富士恩公司 2024-10-22 CN disclosed