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) —
SCHEMBL29953885 0.82 MAPT (0.50) MAPTMAPK1SMN1; SMN2GAAL3MBTL1
SCHEMBL730547 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
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