SCHEMBL31417550

SCHEMBL31417550

C=Cc1c(C(=O)OC)cc(Br)c2c1CCC2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.36
▸ SOS1 Q07889 1/20 0.35
▸ ALDH1A1 P00352 6/20 0.33
▸ HSD17B10 Q99714 4/20 0.33
▸ KMT2A Q03164 4/20 0.33
▸ HPGD P15428 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ PKM P14618 1/20 0.32
▸ MAPT P10636 3/20 0.32
▸ USP2 O75604 2/20 0.32
▸ POLB P06746 2/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ PTPN7 P35236 1/20 0.32
▸ RECQL P46063 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
SCHEMBL31417527 0.87 ACHE (0.36) ACHESOS1ALDH1A1HSD17B10KMT2A
SCHEMBL31417774 0.79 KDM4E (0.36) SOS1ALDH1A1HSD17B10KMT2AHPGD
SCHEMBL31417790 0.79 KDM4E (0.36) ACHESOS1ALDH1A1HSD17B10KMT2A
SCHEMBL31417569 0.79 KDM4E (0.36) SOS1ALDH1A1HSD17B10KMT2AHPGD
SCHEMBL23698841 0.78 ALDH1A1 (0.41) ACHESOS1ALDH1A1HSD17B10KMT2A
SCHEMBL31417620 0.78 SOS1 (0.50) ACHESOS1ALDH1A1HSD17B10KMT2A
SCHEMBL2474533 0.78 ACHE (0.46) ACHESOS1ALDH1A1HSD17B10KMT2A
SCHEMBL18397725 0.72 SLC6A3 (0.40) ACHEALDH1A1HSD17B10KMT2AHPGD
SCHEMBL31273039 0.70 ALDH1A1 (0.40) ACHESOS1ALDH1A1HSD17B10HPGD
SCHEMBL31273048 0.70 ALDH1A1 (0.40) ACHESOS1ALDH1A1HSD17B10HPGD

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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