SCHEMBL29490992

SCHEMBL29490992

Oc1c(F)c(Br)cc(C(F)(F)F)c1F

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
NOTUM Q6P988 1/20 0.33
CYP3A4 P08684 2/20 0.32
TSHR P16473 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ALOX12 P18054 1/20 0.31
CASP1 P29466 1/20 0.31
RECQL P46063 1/20 0.31
HIF1A Q16665 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA4 P22748 1/20 0.30
CA6 P23280 1/20 0.30

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
SCHEMBL26523664 1.00 KIF11 (0.33) KIF11NOTUMCYP3A4TSHRTDP1
SCHEMBL29068687 0.82 EPAS1 (0.35) KIF11NOTUMCA1CA2CA4
SCHEMBL30572960 0.82 EPAS1 (0.35) KIF11NOTUMCA1CA2CA4
SCHEMBL4768740 0.79 NOTUM (0.32) NOTUM
SCHEMBL29068688 0.74 CFTR (0.34) KIF11
SCHEMBL31507812 0.74 KIF11 (0.37) KIF11NOTUMCYP3A4TSHRTDP1
SCHEMBL3838860 0.74 KIF11 (0.37) KIF11NOTUMCYP3A4TSHRTDP1
SCHEMBL20165547 0.74 KIF11 (0.37) KIF11NOTUM
SCHEMBL31616900 0.73 KDM1A (0.35) NOTUMCYP3A4TSHRTDP1
SCHEMBL25200672 0.72 CYP3A4 (0.38) CYP3A4TSHRTDP1ALDH1A1HPGD

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
WO-2023192375-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, INC. (US) 2023-10-05 WO disclosed
CN-116744918-A HSD17B13 inhibitors and uses thereof FL2022-001公司 2023-09-12 CN disclosed
EP-4221703-A1 HSD17B13 INHIBITORS AND USES THEREOF FL2022-001, Inc. (US) 2023-08-09 EP disclosed
WO-2023043836-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2023-03-23 WO disclosed
WO-2022072517-A1 HSD17B13 INHIBITORS AND USES THEREOF METACRINE, INC. (US) 2022-04-07 WO disclosed