SCHEMBL30329966

SCHEMBL30329966

CNc1cc(C)nc(Nc2cc3c(c(OS(=O)(=O)C(F)(F)F)c2)OCCO3)n1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 15/20 0.37
▸ EHMT1 Q9H9B1 14/20 0.37
▸ ABCB1 P08183 1/20 0.34
▸ ABCC1 P33527 1/20 0.34
▸ ABCG2 Q9UNQ0 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ DOT1L Q8TEK3 1/20 0.33
▸ HAVCR2 Q8TDQ0 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
SCHEMBL31108019 1.00 EHMT2 (0.37) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL31107984 0.92 EHMT2 (0.37) EHMT2EHMT1DOT1LHAVCR2
SCHEMBL30329819 0.92 EHMT2 (0.37) EHMT2EHMT1DOT1LHAVCR2
SCHEMBL30330211 0.86 ABCB1 (0.36) ABCB1ABCC1ABCG2
SCHEMBL30329678 0.86 ABCB1 (0.36) ABCB1ABCC1ABCG2
SCHEMBL30330176 0.78 NPC1 (0.32) ABCB1ABCC1ABCG2
SCHEMBL30330007 0.78 NPC1 (0.32) ABCB1ABCC1ABCG2
SCHEMBL25166156 0.75 ABCB1 (0.38) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL30329759 0.75 ABCB1 (0.38) EHMT2EHMT1ABCB1ABCC1ABCG2
SCHEMBL15997038 0.73 CETP (0.40) —

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
Send feedback