SCHEMBL29565006

SCHEMBL29565006

O=C(O)c1cnc(Cl)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.47
POLB P06746 1/20 0.47
NAPRT Q6XQN6 1/20 0.47
TTR P02766 1/20 0.47
P4HA1 P13674 2/20 0.44
P4HTM Q9NXG6 2/20 0.44
MIF P14174 1/20 0.44
MGAM O43451 1/20 0.42
TPMT P51580 1/20 0.40
LDHA P00338 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38

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
SCHEMBL439096 1.00 HCAR2 (0.47) HCAR2POLBNAPRTTTRP4HA1
Hydrochloric Acid SCHEMBL2704937 0.98 HCAR2 (0.46) HCAR2POLBNAPRTTTRP4HA1
Hydrazine SCHEMBL27966259 0.96 HCAR2 (0.44) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL1809522 0.84 NAPRT (0.38) NAPRTALDH1A1LMNAKMT2AGAA
SCHEMBL9192729 0.82 ALDH1A1 (0.39) ALDH1A1MEN1LMNAKMT2AGAA
SCHEMBL232290 0.79 HCAR2 (0.50) HCAR2NAPRTTTRP4HA1P4HTM
SCHEMBL487368 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL30792836 0.79 HCAR2 (0.50) HCAR2POLBNAPRTTTRP4HA1
SCHEMBL29365646 0.79 HCAR2 (0.50) HCAR2NAPRTTTRP4HA1P4HTM
SCHEMBL8926986 0.78 ALDH1A1 (0.36) POLBALDH1A1LMNAGAAMAPT

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
EP-4440702-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2024-10-09 EP disclosed
EP-4228650-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF Epirium Bio Inc. (US) 2023-08-23 EP disclosed
WO-2023102239-A1 THERAPEUTIC COMPOUNDS FOR HIV VIRUS INFECTION GILEAD SCIENCES, INC. (US) 2023-06-08 WO disclosed
WO-2022082009-A1 INHALED FORMULATIONS OF PGDH INHIBITORS AND METHODS OF USE THEREOF EPIRIUM BIO INC. (US) 2022-04-21 WO disclosed