SCHEMBL21394429

SCHEMBL21394429

O=C(Nc1ccc(Cc2cccc(Cl)c2)cn1)c1ccc2nccn2n1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RET P07949 3/20 0.46
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NAMPT P43490 2/20 0.40
ALDH1A1 P00352 1/20 0.40
F10 P00742 2/20 0.39
SNCA P37840 1/20 0.39
HIF1A Q16665 1/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
CACNA1G O43497 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1C Q13936 1/20 0.37
CACNA1I Q9P0X4 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
SCHEMBL21394518 0.83 NAMPT (0.52) RETNAMPTALDH1A1F10
SCHEMBL29358541 0.83 NAMPT (0.52) RETNAMPTALDH1A1F10
SCHEMBL21394867 0.82 NPC1 (0.49) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29357020 0.82 NPC1 (0.49) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21395174 0.80 HCAR2 (0.46) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29354586 0.80 L3MBTL1 (0.47) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394760 0.80 L3MBTL1 (0.47) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL29357084 0.80 RAB9A (0.67) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394817 0.80 RAB9A (0.67) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1
SCHEMBL21394767 0.80 ALDH1A1 (0.47) NPC1TSHRRAB9ASMN1; SMN2ALDH1A1

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed