SCHEMBL28431879

SCHEMBL28431879

CCCCOC(=O)c1ccnc(CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM5C P41229 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.47
▸ JMJD6 Q6NYC1 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ESR1 P03372 6/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ CYP1A2 P05177 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ NR1H2 P55055 1/20 0.40
▸ RNASEL Q05823 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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
SCHEMBL28433924 0.96 KDM5C (0.48) KDM5CKDM4CJMJD6ESR1ALDH1A1
SCHEMBL28436634 0.96 KDM5C (0.48) KDM5CKDM4CJMJD6ESR1ALDH1A1
SCHEMBL28444103 0.81 JMJD6 (0.53) KDM5CKDM4CJMJD6ALDH1A1MEN1
SCHEMBL28431838 0.81 KDM5C (0.50) KDM5CKDM4CJMJD6ALDH1A1MEN1
SCHEMBL22402306 0.80 ESR1 (0.41) L3MBTL1ESR1ALDH1A1MEN1KMT2A
SCHEMBL28897043 0.80 KDM4E (0.47) KDM5CKDM4CALDH1A1MEN1KMT2A
SCHEMBL28441622 0.80 KDM4C (0.71) KDM5CKDM4CJMJD6ALDH1A1MEN1
SCHEMBL22390134 0.79 MEN1 (0.42) L3MBTL1ESR1ALDH1A1MEN1KMT2A
SCHEMBL30725560 0.79 MEN1 (0.42) L3MBTL1ESR1ALDH1A1MEN1KMT2A
SCHEMBL28443185 0.79 NAAA (0.50) KDM5CKDM4CL3MBTL1KDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 — — CN claimed
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — CN claimed
CN-111511728-B Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2023-12-08 — — CN disclosed
CN-111511728-A Compound for separating rare earth elements and s, p, d metals, separation method and use thereof 有机生物化学公司 2020-08-07 — — CN disclosed
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