SCHEMBL25423878

SCHEMBL25423878

N#Cc1ccc2ccn(Cc3nccn3CCCCC(=O)NCCOCCOCCOCCNC(=O)O)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ TSHR P16473 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ HPGD P15428 2/20 0.41
▸ GLA P06280 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MTNR1A P48039 2/20 0.36
▸ MTNR1B P49286 2/20 0.36
▸ MCL1 Q07820 8/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HDAC6 Q9UBN7 2/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ PTGER4 P35408 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL29208419 0.92 KDM4E (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208414 0.90 CCNC (0.38) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25427528 0.86 MTNR1A (0.37) MTNR1AMTNR1BMCL1MAPK1HDAC6
SCHEMBL25424948 0.84 ALDH1A1 (0.40) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25426712 0.83 ALDH1A1 (0.45) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL25424623 0.81 ALDH1A1 (0.43) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208420 0.76 ALDH1A1 (0.37) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208453 0.76 PLK1 (0.38) KDM4EMTNR1AMTNR1BMCL1HDAC8
SCHEMBL25425148 0.76 KDM4E (0.42) KDM4EALDH1A1TSHRHSD17B10HPGD
SCHEMBL29208415 0.75 CCNC (0.36) KDM4EALDH1A1TSHRHSD17B10HPGD

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-4204808-A1 TARGET ENGAGEMENT ASSAY FOR RAS PROTEINS Promega Corporation (US) 2023-07-05 — — EP disclosed
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