SCHEMBL30984928

SCHEMBL30984928

COC(OC)C1CCN(c2ccc3c(F)n[nH]c(=O)c3c2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.39
▸ SOS1 Q07889 1/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ HTR6 P50406 5/20 0.34
▸ IP6K1 Q92551 4/20 0.34
▸ TSHR P16473 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ PARP1 P09874 2/20 0.33
▸ IP6K3 Q96PC2 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IP6K2 Q9UHH9 1/20 0.32
▸ ROCK2 O75116 1/20 0.32
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL30985167 0.96 SOS1 (0.39) HSD17B10SOS1ENPP1HTR6IP6K1
SCHEMBL30985228 0.79 SYK (0.38) HSD17B10IP6K1PDE3BPDE3APARP1
SCHEMBL30984893 0.74 CRBN (0.40) ALDH1A1HPGD
SCHEMBL30985216 0.72 CRBN (0.40) ALDH1A1HPGD
SCHEMBL31289233 0.71 ALDH1A1 (0.44) TSHRKDM4EALDH1A1MAPTMEN1
SCHEMBL24847849 0.71 DPP4 (0.38) TSHRKDM4EALDH1A1MAPTMEN1
SCHEMBL20211889 0.71 DPP4 (0.36) MAPTMEN1KMT2A
SCHEMBL29683460 0.71 DPP4 (0.36) MAPTMEN1KMT2A
SCHEMBL31289261 0.70 CCR1 (0.41) MAPT
SCHEMBL31542304 0.69 LMNA (0.39) HSD17B10PDE3BPDE3AALDH1A1MAPT

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
WO-2024146502-A1 WEE1 DEGRADING COMPOUNDS BEIJING NEOX BIOTECH LIMITED (CN) 2024-07-11 — — WO disclosed
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