SCHEMBL30788829

SCHEMBL30788829

CC1(C(N)=O)C(c2ccccc2)C1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 2/20 0.53
▸ HDAC4 P56524 2/20 0.42
▸ KDM1A O60341 5/20 0.41
▸ MAOA P21397 4/20 0.41
▸ MAOB P27338 4/20 0.41
▸ SLC6A4 P31645 1/20 0.39
▸ MAPT P10636 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ PMP22 Q01453 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HTR2A P28223 2/20 0.37
▸ HTR2C P28335 2/20 0.37

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
SCHEMBL28571626 0.83 SLC9A1 (0.53) SLC9A1HDAC4KDM1AMAOAMAOB
SCHEMBL12498720 0.80 HDAC4 (0.53) SLC9A1HDAC4
SCHEMBL15768718 0.80 HDAC4 (0.53) SLC9A1HDAC4
SCHEMBL15768691 0.78 HDAC4 (0.55) SLC9A1HDAC4SLC6A4
SCHEMBL12497988 0.78 HDAC4 (0.55) SLC9A1HDAC4SLC6A4
SCHEMBL15768815 0.78 HDAC4 (0.55) SLC9A1HDAC4
SCHEMBL12499694 0.78 HDAC4 (0.55) SLC9A1HDAC4
SCHEMBL15768592 0.77 HDAC4 (0.58) SLC9A1HDAC4
SCHEMBL15768593 0.77 HDAC4 (0.58) SLC9A1HDAC4
SCHEMBL3288310 0.76 SLC9A1 (0.68) SLC9A1KDM1AMAOAMAOBSLC6A4

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-4565228-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2025-06-11 — — EP disclosed
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 — — WO disclosed
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