SCHEMBL30943166

SCHEMBL30943166

COCOc1cc(Br)ccc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
MAOB P27338 6/20 0.48
MAOA P21397 4/20 0.48
CYP3A4 P08684 4/20 0.44
TSHR P16473 3/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HIF1A Q16665 1/20 0.44
CYP2C9 P11712 1/20 0.43
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
MAPK1 P28482 1/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PARP15 Q460N3 1/20 0.39

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
SCHEMBL4207937 1.00 PTGDR2 (0.51) PTGDR2MAOBMAOACYP3A4TSHR
SCHEMBL6049299 0.87 PTGDR2 (0.44) PTGDR2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL3328668 0.87 PTGDR2 (0.68) PTGDR2MAOBMAOACYP3A4TSHR
SCHEMBL18412824 0.86 PTGDR2 (0.50) PTGDR2MAOBMAOATSHRHTT
SCHEMBL21046515 0.86 TDP1 (0.47) PTGDR2CYP3A4TSHRCYP2D6CYP2C19
SCHEMBL89047 0.84 PTGDR2 (0.49) PTGDR2MAOBMAOAHTTMAPT
SCHEMBL20505374 0.83 TSHR (0.61) PTGDR2MAOBMAOACYP3A4TSHR
SCHEMBL31088170 0.83 KDM4E (0.49) MAOBMAOACYP3A4TSHRCYP2D6
SCHEMBL5445458 0.83 KDM4E (0.49) MAOBMAOACYP3A4TSHRCYP2D6
SCHEMBL4215199 0.82 ALDH1A1 (0.57) CYP3A4TSHRCYP2D6CYP2C19CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522154-A1 BCL-XL/BCL-2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2025-03-19 EP disclosed
CN-112654608-B Fused ring compound having urea structure 桑福德伯纳姆普利斯医学发现研究所 2024-05-07 CN disclosed