SCHEMBL29565010

SCHEMBL29565010

O=C(c1cnc2c(ccn2-c2cccc(C(=O)N3CCSC3)c2)c1)N1CCC(F)(F)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.56
MGLL Q99685 1/20 0.42
DDR1 Q08345 3/20 0.37
CYP3A4 P08684 5/20 0.36
CYP1A2 P05177 4/20 0.36
USP2 O75604 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.36
CYP2D6 P10635 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HIF1A Q16665 2/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 2/20 0.35
VNN1 O95497 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL23675343 1.00 HPGD (0.56) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL30201394 0.88 HPGD (0.61) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL29564747 0.88 HPGD (0.61) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL23675344 0.88 HPGD (0.61) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL24942913 0.88 HPGD (0.61) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL23675308 0.86 HPGD (0.55) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL29564736 0.86 HPGD (0.55) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL23675306 0.86 HPGD (0.55) HPGDMGLLDDR1CYP3A4CYP1A2
SCHEMBL29141081 0.85 HPGD (0.52) HPGDMGLLDDR1VNN1
SCHEMBL23675325 0.84 HPGD (0.57) HPGDMGLLDDR1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115335043-B PGDH inhibitors and methods of making and using the same 迈欧伏特治疗公司 2025-03-28 CN disclosed
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
EP-4093385-A1 PGDH INHIBITORS AND METHODS OF MAKING AND USING Myoforte Therapeutics Inc. (US) 2022-11-30 EP disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed