SCHEMBL15330342

SCHEMBL15330342

CC(C)c1nn(-c2ccccn2)c(Cl)c1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 2/20 0.40
MAPT P10636 6/20 0.38
MAPK1 P28482 1/20 0.38
OXTR P30559 1/20 0.36
AVPR1A P37288 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PIK3CD O00329 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 4/20 0.34
FLT3 P36888 2/20 0.34
PLK4 O00444 1/20 0.34
ROCK2 O75116 1/20 0.34
RPS6KA5 O75582 1/20 0.34
MAP4K4 O95819 1/20 0.34
INSR P06213 1/20 0.34
ROS1 P08922 1/20 0.34
PIM1 P11309 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
SCHEMBL15330309 0.89 OXTR (0.36) HMGCRMAPTMAPK1OXTRAVPR1A
SCHEMBL15330737 0.83 PIK3CG (0.30)
SCHEMBL730547 0.82 MAPT (0.50) MAPTMAPK1SMN1; SMN2GAAL3MBTL1
SCHEMBL29953885 0.82 MAPT (0.50) MAPTMAPK1SMN1; SMN2GAAL3MBTL1
SCHEMBL2563953 0.82 ALDH1A1 (0.42) MAPTOXTRSMN1; SMN2RAB9ANPC1
SCHEMBL29956884 0.80 SMN1; SMN2 (0.47) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL29951140 0.78 FFAR4 (0.40) MAPTMAPK1OXTRAVPR1ASMN1; SMN2
SCHEMBL29951390 0.78 MAPK14 (0.38) MAPTMAPK1OXTRAVPR1ASMN1; SMN2
SCHEMBL2557866 0.78 SMN1; SMN2 (0.41) MAPTMAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL15332222 0.77 SMN1; SMN2 (0.40) MAPTSMN1; SMN2RAB9AALDH1A1PANK3

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
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed