SCHEMBL29344931

SCHEMBL29344931

O=C(N[C@@H]1C[C@@H]1F)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
USP30 Q70CQ3 2/20 0.50
HSD17B10 Q99714 2/20 0.48
EPHX2 P34913 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC3 O15379 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
IDO1 P14902 1/20 0.47
ALOX15 P16050 1/20 0.47
HDAC1 Q13547 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL30914521 1.00 TDP1 (0.51) TDP1USP30HSD17B10EPHX2KDM4E
SCHEMBL30914527 1.00 TDP1 (0.51) TDP1USP30HSD17B10EPHX2KDM4E
SCHEMBL9944501 0.86 KMT2A (0.56) TDP1HSD17B10EPHX2KDM4ENFKB1
SCHEMBL29077534 0.82 TDP1 (0.53) TDP1HSD17B10EPHX2KDM4ENFKB1
SCHEMBL1116600 0.82 TDP1 (0.53) TDP1HSD17B10EPHX2KDM4ENFKB1
SCHEMBL106877 0.82 NPC1 (0.56) TDP1HSD17B10KDM4ENFKB1NFKB2
SCHEMBL14460230 0.81 RAB9A (0.56) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL18231413 0.81 TDP1 (0.59) TDP1HSD17B10EPHX2KDM4ENFKB1
SCHEMBL29781372 0.81 TDP1 (0.59) TDP1HSD17B10EPHX2KDM4ENFKB1
SCHEMBL29781370 0.81 TDP1 (0.59) TDP1HSD17B10EPHX2KDM4ENFKB1

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-4649082-A1 PREPARATION OF A TYK2 INHIBITOR Ventyx Biosciences, Inc. (US) 2025-11-19 EP disclosed
WO-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed
WO-2024151992-A1 PREPARATION OF A TYK2 INHIBITOR VENTYX BIOSCIENCES, INC. (US) 2024-07-18 WO disclosed