SCHEMBL29699012

SCHEMBL29699012

CNCCOC(=O)Nc1nc2ccc(OC(F)(F)F)cc2s1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.67
TSHR P16473 2/20 0.60
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
HDAC9 Q9UKV0 1/20 0.58
HDAC5 Q9UQL6 1/20 0.58
CSNK1D P48730 5/20 0.56
LMNA P02545 2/20 0.56
ACP1 P24666 1/20 0.52
WNT3A P56704 1/20 0.52
RAB9A P51151 5/20 0.50
NPC1 O15118 4/20 0.50
SMN1; SMN2 Q16637 4/20 0.50

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
SCHEMBL19850884 1.00 DYRK1A (0.67) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL28591455 0.92 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL29699060 0.90 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL18163667 0.90 DYRK1A (0.65) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL15271211 0.89 DYRK1A (0.70) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL18163677 0.89 DYRK1A (0.64) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL29698901 0.89 DYRK1A (0.64) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL18154367 0.89 DYRK1A (0.63) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL15271105 0.88 TSHR (0.77) DYRK1ATSHRHDAC3HDAC4HDAC1
SCHEMBL29698933 0.87 DYRK1A (0.67) DYRK1ATSHRHDAC3HDAC4HDAC1

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
EP-4584250-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS Biohaven Therapeutics Ltd. (VG) 2025-07-16 EP disclosed
WO-2024054811-A1 COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS BIOHAVEN THERAPEUTICS LTD. (VG) 2024-03-14 WO disclosed
EP-4011870-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING RILUZOLE PRODRUGS Biohaven Pharmaceutical Holding Company Ltd. (US) 2022-06-15 EP disclosed