SCHEMBL25425148

SCHEMBL25425148

N#Cc1ccc2ccn(Cc3cc(C(=O)NCCOCCOCCOCCNC(=O)O)ccn3)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ GLA P06280 1/20 0.42
▸ PTGER4 P35408 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ KLKB1 P03952 3/20 0.36
▸ MAP4K1 Q92918 3/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ EGLN2 Q96KS0 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL29208377 0.89 CCNC (0.40) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL25425808 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29587844 0.81 ALDH1A1 (0.47) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29587499 0.80 KDM5A (0.45) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL25424837 0.80 KDM5A (0.45) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL25426443 0.79 ALDH1A1 (0.43) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL25424948 0.77 ALDH1A1 (0.40) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL25423878 0.76 KDM4E (0.41) KDM4EALDH1A1HSD17B10TSHRHPGD
SCHEMBL29208438 0.74 LOXL2 (0.38) KLKB1MAP4K1ADORA2A
SCHEMBL25423945 0.72 ALDH1A1 (0.46) KDM4EALDH1A1HSD17B10TSHRHPGD

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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