SCHEMBL28443185

SCHEMBL28443185

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 2/20 0.50
▸ KDM5A P29375 1/20 0.48
▸ KDM5C P41229 1/20 0.46
▸ KDM4C Q9H3R0 1/20 0.46
▸ CYP2C19 P33261 2/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ S1PR1 P21453 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SMYD2 Q9NRG4 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ THRA P10827 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ KLK1 P06870 1/20 0.40
▸ MLYCD O95822 1/20 0.40
▸ HTR1A P08908 2/20 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
SCHEMBL28440089 1.00 NAAA (0.50) NAAAKDM5AKDM5CKDM4CCYP2C19
SCHEMBL28897043 0.96 KDM4E (0.47) NAAAKDM5AKDM5CKDM4CCYP2C19
SCHEMBL28436634 0.81 KDM5C (0.48) KDM5CKDM4CS1PR1
SCHEMBL28433924 0.81 KDM5C (0.48) KDM5CKDM4CS1PR1
SCHEMBL22402304 0.80 NAAA (0.45) NAAAKDM5AL3MBTL1S1PR1SMN1; SMN2
SCHEMBL22402322 0.80 NAAA (0.45) NAAAKDM5AL3MBTL1S1PR1SMN1; SMN2
SCHEMBL28438368 0.80 LMNA (0.52) KDM5AKDM5CKDM4CKDM4EL3MBTL1
SCHEMBL28431822 0.80 KDM4E (0.46) NAAACYP2C19KDM4EPOLBCYP2D6
SCHEMBL22390142 0.80 NAAA (0.44) NAAAPOLBL3MBTL1S1PR1SMN1; SMN2
SCHEMBL22390149 0.80 NAAA (0.44) NAAAPOLBL3MBTL1S1PR1SMN1; SMN2

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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