SCHEMBL29486836

SCHEMBL29486836

COC(=O)CCCCCCCCOc1cc2nc(C)[nH]c(=O)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ TRPV1 Q8NER1 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ PDE3B Q13370 5/20 0.46
▸ PDE3A Q14432 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ GAA P10253 1/20 0.46
▸ TNF P01375 3/20 0.45
▸ HTT P42858 1/20 0.45
▸ P2RY12 Q9H244 3/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ KDR P35968 2/20 0.42
▸ HDAC4 P56524 2/20 0.42

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
SCHEMBL29486866 1.00 MEN1 (0.47) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL27041273 1.00 MEN1 (0.47) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL27041289 1.00 MEN1 (0.47) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL27057129 0.92 MEN1 (0.49) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL30496286 0.92 TNF (0.56) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL29260841 0.92 TNF (0.56) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL6128121 0.79 KDM4E (0.62) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL27041271 0.79 TNF (0.51) TNFHDAC3KDRHDAC4HDAC1
SCHEMBL27041207 0.79 MEN1 (0.47) MEN1KMT2APOLBTSHRSMN1; SMN2
SCHEMBL27057164 0.79 TRPV1 (0.48) MEN1KMT2APOLBTSHRSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266248-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-12-22 — — WO disclosed
WO-2022061348-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2022-03-24 — — WO disclosed
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