SCHEMBL31417620

SCHEMBL31417620

COC(=O)c1cc(Br)c2c(c1I)CCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SOS1 Q07889 1/20 0.50
▸ ACHE P22303 4/20 0.38
▸ ALDH1A1 P00352 7/20 0.36
▸ HSD17B10 Q99714 5/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ USP2 O75604 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ NR4A1 P22736 1/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ PTPN7 P35236 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ BLM P54132 1/20 0.36
▸ MCL1 Q07820 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NR4A2 P43354 1/20 0.36

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
SCHEMBL23698841 0.81 ALDH1A1 (0.41) SOS1ACHEALDH1A1HSD17B10KMT2A
SCHEMBL2474533 0.81 ACHE (0.46) SOS1ACHEALDH1A1HSD17B10KMT2A
SCHEMBL31417527 0.79 ACHE (0.36) SOS1ACHEALDH1A1HSD17B10KMT2A
SCHEMBL31417561 0.78 SOS1 (0.47) SOS1ALDH1A1MAPTPOLBNR4A2
SCHEMBL31417550 0.78 ACHE (0.36) SOS1ACHEALDH1A1HSD17B10KMT2A
SCHEMBL31417577 0.77 SOS1 (0.46) SOS1ALDH1A1HSD17B10KMT2AMAPT
SCHEMBL18397725 0.76 SLC6A3 (0.40) ACHEALDH1A1HSD17B10KMT2AMAPT
SCHEMBL31273039 0.73 ALDH1A1 (0.40) SOS1ACHEALDH1A1HSD17B10MAPT
SCHEMBL31273048 0.73 ALDH1A1 (0.40) SOS1ACHEALDH1A1HSD17B10MAPT
SCHEMBL28769733 0.72 SOS1 (0.53) SOS1ALDH1A1HSD17B10KMT2AL3MBTL1

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-2025016457-A1 NEW SUBSTITUTED HETEROCYCLIC COMPOUND AS GSPTS/MYC SIGNAL FLUX REGULATOR 杭州德睿智药科技有限公司 2025-01-23 — — WO disclosed
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