SCHEMBL30728753

SCHEMBL30728753

CCOC(=O)c1ccc(C)c([C@@H]2CN(Cc3ccccc3)C[C@H]2C(C)=O)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT1 Q99873 1/20 0.49
LMNA P02545 2/20 0.48
MAPK1 P28482 1/20 0.48
TSHR P16473 2/20 0.43
ALDH1A1 P00352 1/20 0.43
RORC P51449 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.40
TNF P01375 1/20 0.40
RAB9A P51151 1/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
USP30 Q70CQ3 1/20 0.40

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
SCHEMBL31533989 1.00 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL30728789 1.00 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL30728803 0.93 PRMT1 (0.50) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL30728773 0.93 PRMT1 (0.50) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL27042490 0.93 PRMT1 (0.50) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL31533979 0.86 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL30728743 0.86 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL27042482 0.86 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL30728797 0.86 PRMT1 (0.49) PRMT1LMNAMAPK1TSHRALDH1A1
SCHEMBL27042409 0.82 CA12 (0.40) LMNAMAPK1ALDH1A1SMN1; SMN2MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4558489-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2025-05-28 EP disclosed
WO-2024017876-A1 HETEROARYL DERIVATIVES AS DDRs INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-01-25 WO disclosed