SCHEMBL30796247

SCHEMBL30796247

O=C(CSC12CC3CC(CC(C3)C1)C2)Nn1nc(C(F)(F)F)c2ccccc2c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.41
▸ MEN1 O00255 5/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ G6PD P11413 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ALOX12 P18054 1/20 0.35
▸ APOBEC3G Q9HC16 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ P2RX7 Q99572 4/20 0.34
▸ PSMB5 P28074 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ IL15 P40933 2/20 0.33
▸ IL15RA Q13261 2/20 0.33
▸ AKR1B1 P15121 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL1786189 1.00 POLB (0.41) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL1788328 0.85 MEN1 (0.43) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30795567 0.85 MEN1 (0.43) POLBMEN1KMT2ANPSR1ALDH1A1
SCHEMBL30795515 0.85 P2RX7 (0.48) POLBMEN1KMT2AP2RX7LMNA
SCHEMBL1791915 0.85 P2RX7 (0.48) POLBMEN1KMT2AP2RX7LMNA
SCHEMBL1787790 0.80 MEN1 (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL30796158 0.80 MEN1 (0.41) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL1791098 0.76 ALDH1A1 (0.45) POLBMEN1KMT2AALDH1A1HPGD
SCHEMBL1788511 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDP2RX7
SCHEMBL30795479 0.76 ALDH1A1 (0.47) MEN1KMT2AALDH1A1HPGDP2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 — — EP disclosed
EP-4580679-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS Biohaven Therapeutics Ltd. (VG) 2025-07-09 — — EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024054807-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 — — WO disclosed
WO-2024050389-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-07 — — WO disclosed
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