SCHEMBL30330176

SCHEMBL30330176

CNc1cc(C)nc(Nc2cc3c(c(OS(=O)(=O)C(F)(F)F)c2)OCO3)c1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ EPHB4 P54760 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ABCB1 P08183 1/20 0.30
▸ ABCC1 P33527 1/20 0.30
▸ ABCG2 Q9UNQ0 1/20 0.30

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
SCHEMBL30330007 1.00 NPC1 (0.32) NPC1RAB9AKCNH2KMT2ASMN1; SMN2
SCHEMBL30330211 0.92 ABCB1 (0.36) KMT2ASMN1; SMN2MAPTABCB1ABCC1
SCHEMBL30329678 0.92 ABCB1 (0.36) KMT2ASMN1; SMN2MAPTABCB1ABCC1
SCHEMBL30329819 0.86 EHMT2 (0.37) KCNH2EPHB4KDM4E
SCHEMBL31107984 0.86 EHMT2 (0.37) KCNH2EPHB4KDM4E
SCHEMBL30329966 0.78 EHMT2 (0.37) ABCB1ABCC1ABCG2
SCHEMBL31108019 0.78 EHMT2 (0.37) ABCB1ABCC1ABCG2
SCHEMBL25166694 0.77 EPHB4 (0.35) NPC1RAB9AKCNH2KMT2ASMN1; SMN2
SCHEMBL30330226 0.77 EPHB4 (0.35) NPC1RAB9AKCNH2KMT2ASMN1; SMN2
SCHEMBL25166455 0.75 NPC1 (0.38) NPC1RAB9AKCNH2KMT2ASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118647610-A Novel modulators of EHMT1 and EHMT2 and therapeutic uses thereof 探戈医药股份有限公司 2024-09-13 — — CN disclosed
EP-4416143-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF Tango Therapeutics, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064586-A1 NOVEL MODULATORS OF EHMT1 AND EHMT2 AND THERAPEUTIC USE THEREOF TANGO THERAPEUTICS, INC. (US) 2023-04-20 — — WO disclosed
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