SCHEMBL29903264

SCHEMBL29903264

CC(O)c1ccc(Br)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UGT2B7 P16662 1/20 0.44
SHBG P04278 1/20 0.37
KDM1A O60341 2/20 0.35
KCNH2 Q12809 2/20 0.35
KDM1B Q8NB78 1/20 0.35
IDH1 O75874 1/20 0.35
ADRB2 P07550 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
KMT2A Q03164 4/20 0.34
PTGS1 P23219 3/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
PTGS2 P35354 2/20 0.34
TSHR P16473 2/20 0.34
HIF1A Q16665 2/20 0.34
FABP2 P12104 1/20 0.34
AKR1C4 P17516 1/20 0.34
ADRA2B P18089 1/20 0.34

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
SCHEMBL14966853 1.00 UGT2B7 (0.44) UGT2B7SHBGKDM1AKCNH2KDM1B
SCHEMBL19028362 0.83 UGT2B7 (0.44) UGT2B7SHBGADRB2CES2CES1
SCHEMBL8220975 0.83 UGT2B7 (0.44) UGT2B7SHBGADRB2CES2CES1
SCHEMBL2850794 0.83 UGT2B7 (0.44) UGT2B7SHBGADRB2CES2CES1
SCHEMBL2609188 0.83 LMNA (0.40) KDM1AKCNH2KDM1BADRB2PTGS1
SCHEMBL21831869 0.81 KDM1A (0.36) SHBGKDM1AKCNH2KDM1BIDH1
SCHEMBL30910946 0.81 KDM1A (0.36) SHBGKDM1AKCNH2KDM1BIDH1
SCHEMBL1318569 0.80 CES2 (0.50) UGT2B7SHBGCES2CES1KMT2A
SCHEMBL11484010 0.80 UGT2B7 (0.48) UGT2B7KMT2AMEN1LMNAMAPT
SCHEMBL4102499 0.80 CES2 (0.50) UGT2B7SHBGCES2CES1KMT2A

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
WO-2024233665-A1 COMPOUNDS AND THEIR USE AGAINST CANCER TANGO THERAPEUTICS, INC. (US) 2024-11-14 WO disclosed
CN-112654621-B Substituted naphthyridinone compounds useful as T cell activators 百时美施贵宝公司 2024-05-14 CN disclosed
WO-2022180397-A1 BENZODIAZEPINES FOR TREATING OR PREVENTING RESPIRATORY SYNCYTIAL VIRUS INFECTION ReViral Limited (GB) 2022-09-01 WO disclosed