SCHEMBL24101005

SCHEMBL24101005

CC/C=C\Cc1cc(-n2nnc3ccccc32)cnc1C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 3/20 0.37
SLC9A1 P19634 4/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
KEAP1 Q14145 1/20 0.36
POLB P06746 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.35
KCNMA1 Q12791 1/20 0.35
ALDH1A1 P00352 3/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL20008300 0.71 SMN1; SMN2 (0.44) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL16382048 0.69 IDO1 (0.43) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL14685487 0.68 RAB9A (0.45) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL25583358 0.68 SMN1; SMN2 (0.46) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL19733923 0.68 SMN1; SMN2 (0.46) SMN1; SMN2TSHRRAB9ASLC9A1KEAP1
SCHEMBL13604186 0.67 SMN1; SMN2 (0.48) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL24081163 0.67 SLC9A1 (0.44) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL20938974 0.67 SMN1; SMN2 (0.42) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL12204569 0.67 RAB9A (0.56) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A
SCHEMBL29317012 0.66 KCNMA1 (0.50) SMN1; SMN2TSHRRAB9ASLC9A1KMT2A

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-3922247-A1 15-PGDH INHIBITOR Kyorin Pharmaceutical Co., Ltd. (JP) 2021-12-15 EP disclosed