SCHEMBL18965184

SCHEMBL18965184

CCOC(=O)Cn1ccc2[nH]cc(Br)c2c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ PIN1 Q13526 1/20 0.41
▸ PIN4 Q9Y237 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GSK3A P49840 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ POLB P06746 1/20 0.37
▸ ESR2 Q92731 1/20 0.37

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
SCHEMBL30874370 0.76 KDM4E (0.47) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL18956056 0.76 KDM4E (0.47) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL18956134 0.76 KDM4E (0.45) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL2824950 0.74 ALDH1A1 (0.50) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL25073871 0.74 KDM4E (0.43) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL30279192 0.74 KDM4E (0.43) KDM4EALDH1A1PIN1PIN4NPSR1
SCHEMBL30279183 0.71 MITF (0.42) KDM4EALDH1A1PIN1PIN4MAPT
SCHEMBL5855748 0.70 KMT2A (0.48) KDM4EALDH1A1PIN1PIN4LMNA
Hydrochloric Acid SCHEMBL27199364 0.69 ALDH1A1 (0.43) KDM4EALDH1A1PIN1PIN4MAPT
SCHEMBL13837758 0.69 GSK3A (0.45) KDM4EALDH1A1PIN1PIN4RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3386591-B1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF CADENT THERAPEUTICS INC (US) 2020-06-24 — — EP disclosed
WO-2017100591-A1 HETEROAROMATIC NMDA RECEPTOR MODULATORS AND USES THEREOF LUC THERAPEUTICS (US) 2017-06-15 — — WO disclosed
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