SCHEMBL21394930

SCHEMBL21394930

Cn1nc(C(=O)Nc2ccc(Cc3cc(F)cc(F)c3)cn2)cc1O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GCK P35557 1/20 0.38
DEGS1 O15121 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
ABCB1 P08183 2/20 0.38
ABCC1 P33527 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL21394711 0.91 NPC1 (0.44) GRM5L3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL29358350 0.91 NPC1 (0.44) GRM5L3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL21395129 0.86 GRM5 (0.40) GRM5L3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL21394687 0.86 NPC1 (0.43) GRM5SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL21394572 0.86 TSHR (0.44) GRM5L3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL29357109 0.86 TSHR (0.44) GRM5L3MBTL1SMN1; SMN2NPC1TSHR
SCHEMBL21395189 0.84 ABCB1 (0.45) GRM5SMN1; SMN2NPC1RAB9AABCB1
SCHEMBL21394883 0.83 MEN1 (0.47) SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL29356651 0.83 MEN1 (0.47) SMN1; SMN2NPC1TSHRRAB9A
SCHEMBL21394747 0.82 AHR (0.38) GRM5GCKSMN1; SMN2NPC1TSHR

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
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed