SCHEMBL23398238

SCHEMBL23398238

Cc1ccc2oc(C)c(-c3c(CC(C)(C)C(=O)O)c(C)nn(C)c3=O)c2c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 7/20 0.35
▸ NPC1 O15118 4/20 0.35
▸ RAB9A P51151 4/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ PKM P14618 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ NQO1 P15559 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPT P10636 8/20 0.34
▸ ATM Q13315 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 2/20 0.32
▸ POLB P06746 3/20 0.32
▸ P2RX3 P56373 1/20 0.31

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
SCHEMBL23398242 0.84 KDM4E (0.36) KDM4EL3MBTL1MAPTATMMEN1
SCHEMBL17224757 0.78 NQO1 (0.42) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17224792 0.75 MAPT (0.39) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17224760 0.69 KMT2A (0.35) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17224759 0.69 ALDH1A1 (0.37) KDM4ERAB9AALDH1A1PKMHPGD
SCHEMBL17224777 0.68 ALDH1A1 (0.38) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL17224787 0.68 NQO1 (0.41) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17224771 0.68 MAPK8 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL30576370 0.68 MAPK8 (0.43) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17224793 0.68 KDM4E (0.42) KDM4ENPC1RAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3137456-B1 PYRIDAZINONE HERBICIDES FMC CORP (US) 2021-06-02 — — EP claimed
Send feedback