SCHEMBL30722862

SCHEMBL30722862

O=C(O)c1cc(Br)ccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.59
GLA P06280 1/20 0.59
DGAT1 O75907 1/20 0.52
AKR1C2 P52895 2/20 0.50
AKR1C1 Q04828 2/20 0.50
AKR1C4 P17516 1/20 0.50
AKR1C3 P42330 1/20 0.50
MYC P01106 1/20 0.49
NR4A1 P22736 1/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2A Q12879 1/20 0.47
GRIN2B Q13224 1/20 0.47
GRIN2C Q14957 1/20 0.47
GPR35 Q9HC97 1/20 0.47
CES2 O00748 2/20 0.47
GALR3 O60755 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 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
SCHEMBL2554 1.00 KDM4E (0.59) KDM4EGLADGAT1AKR1C2AKR1C1
SCHEMBL875504 0.83 ALDH1A1 (0.53) KDM4EGLADGAT1AKR1C2AKR1C1
SCHEMBL156346 0.83 DGAT1 (0.68) KDM4EGLADGAT1MYCNR4A1
SCHEMBL3652414 0.81 AKR1C3 (0.54) KDM4EGLAAKR1C2AKR1C1AKR1C3
SCHEMBL10082 0.81 DGAT1 (0.50) KDM4EGLADGAT1MYCNR4A1
Hydrochloric Acid SCHEMBL2349044 0.81 DGAT1 (0.66) KDM4EGLADGAT1MYCNR4A1
SCHEMBL181200 0.81 ALDH1A1 (0.52) KDM4EGLADGAT1AKR1C2AKR1C1
SCHEMBL29401981 0.81 ALDH1A1 (0.52) KDM4EGLADGAT1AKR1C2AKR1C1
SCHEMBL30374539 0.81 DGAT1 (0.50) KDM4EGLADGAT1MYCNR4A1
SCHEMBL351693 0.81 DGAT1 (0.71) KDM4EGLADGAT1CES2GALR3

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-4536653-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME Eisai R&D Management Co., Ltd. (JP) 2025-04-16 EP disclosed
WO-2024020522-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF IRAK-4 ARVINAS OPERATIONS, INC. (US) 2024-01-25 WO disclosed
WO-2023239906-A2 SIALIC ACID DERIVATIVES AND METHODS OF USING SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2023-12-14 WO disclosed