SCHEMBL22616634

SCHEMBL22616634

CCOC(=O)c1cc2cc(F)c(OCc3ccccc3)cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
ALDH1A1 P00352 4/20 0.59
HPGD P15428 4/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
NPC1 O15118 2/20 0.59
LMNA P02545 2/20 0.59
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
ATM Q13315 1/20 0.59
SRD5A2 P31213 3/20 0.57
SRD5A1 P18405 1/20 0.57
HSD17B10 Q99714 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
ALOX15 P16050 1/20 0.49
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL29493188 1.00 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL9735427 0.91 SRD5A2 (0.69) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL5017116 0.89 SRD5A2 (0.63) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL7201495 0.87 SRD5A2 (0.77) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL29493184 0.86 SRD5A2 (0.72) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL1978230 0.86 SRD5A2 (0.72) KDM4EALDH1A1HPGDLMNAMEN1
SCHEMBL630438 0.84 KDM4E (0.59) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL26660706 0.82 RAB9A (0.49) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL30147498 0.81 ALDH1A1 (0.52) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2
SCHEMBL25724364 0.81 KDM4E (0.60) KDM4EALDH1A1HPGDRAB9ASMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114222747-A PIM kinase inhibitor composition and application thereof 斯奈普生物公司 2022-03-22 CN disclosed
EP-3962916-A1 PIM KINASE INHIBITOR COMPOSITIONS AND USES THEREOF Snap Bio, Inc. (US) 2022-03-09 EP disclosed
WO-2020223306-A1 PIM KINASE INHIBITOR COMPOSITIONS AND USES THEREOF SNAP BIO, INC. (US) 2020-11-05 WO disclosed