SCHEMBL15435175

SCHEMBL15435175

CC(C)(C)c1cc(C=O)ccn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.38
PRKCI P41743 1/20 0.38
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 1/20 0.37
MAPK1 P28482 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
TSHR P16473 2/20 0.34
FDPS P14324 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PTGS2 P35354 1/20 0.33

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
SCHEMBL15322610 0.85 RAB9A (0.35) LMNASMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL23654320 0.85 IDH1 (0.34) RAB9AALDH1A1CYP2A6L3MBTL1TSHR
SCHEMBL29889438 0.80 LOXL2 (0.47) ALDH1A1L3MBTL1
SCHEMBL3688844 0.80 LMNA (0.37) LMNASMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL2522080 0.80 LOXL2 (0.47) ALDH1A1L3MBTL1
SCHEMBL31278664 0.80 LMNA (0.37) LMNASMN1; SMN2RAB9ANPC1HSD17B10
Bromide SCHEMBL32674590 0.78 LOXL2 (0.46) ALDH1A1L3MBTL1
SCHEMBL29955216 0.78 CYP2C19 (0.35) LMNASMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL29951514 0.78 CYP2C19 (0.35) LMNASMN1; SMN2RAB9ANPC1HSD17B10
SCHEMBL17808202 0.77 LMNA (0.39) LMNASMN1; SMN2RAB9ANPC1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
EP-2687507-B1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND TAISHO PHARMACEUTICAL CO LTD (JP) 2016-03-09 EP disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
US-9035059-B2 Nitrogen-containing condensed heterocyclic compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-19 US disclosed
EP-2687507-A1 NITROGEN-CONTAINING CONDENSED HETEROCYCLIC COMPOUND Taisho Pharmaceutical Co., Ltd. (JP) 2014-01-22 EP disclosed