SCHEMBL29359016

SCHEMBL29359016

CC(O)COc1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.55
NPC1 O15118 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
KCNA5 P22460 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GRM2 Q14416 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38
CCR8 P51685 1/20 0.38
METAP1 P53582 1/20 0.38

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
SCHEMBL27926709 1.00 LMNA (0.55) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19597584 0.84 NPC1 (0.42) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL370672 0.84 NPC1 (0.44) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL29582472 0.84 NPC1 (0.44) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10532918 0.81 NPC1 (0.40) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6312703 0.81 SCN4A (0.47) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6312698 0.81 NPC1 (0.42) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL15835902 0.80 NPC1 (0.43) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28341249 0.80 GRM2 (0.45) LMNANPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6491400 0.79 CYP1A2 (0.50) LMNANPC1RAB9ASMN1; SMN2TSHR

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
EP-3941922-A1 INHIBITORS OF RAF KINASES Kinnate Biopharma Inc. (US) 2022-01-26 EP disclosed