SCHEMBL25027486

SCHEMBL25027486

COc1cccc(Oc2ccc(-n3c(=O)[nH]c4cnc(C)nc43)cn2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 1/20 0.45
BRCA1 P38398 1/20 0.45
HBB P68871 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 5/20 0.41
NTRK1 P04629 1/20 0.40
IGF1R P08069 1/20 0.40
FGFR1 P11362 1/20 0.40
NTRK2 Q16620 1/20 0.40
TSHR P16473 6/20 0.37
USP2 O75604 4/20 0.37
CYP3A4 P08684 4/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP2D6 P10635 2/20 0.37
OXTR P30559 1/20 0.37
AVPR1A P37288 1/20 0.37

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
SCHEMBL30794004 1.00 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AKDM4EBRCA1
SCHEMBL25027695 0.89 LIPE (0.38) ALDH1A1MEN1KMT2AKDM4EBRCA1
SCHEMBL30193643 0.89 LIPE (0.38) ALDH1A1MEN1KMT2AKDM4EBRCA1
SCHEMBL25027489 0.79 POLB (0.37) CYP3A4CYP2C9MAP3K11
SCHEMBL30793990 0.79 POLB (0.37) CYP3A4CYP2C9MAP3K11
SCHEMBL25025758 0.74 MMP13 (0.33) KDM4E
SCHEMBL30193980 0.74 MMP13 (0.33) KDM4E
SCHEMBL4510903 0.74 CYP1A2 (0.54) ALDH1A1KDM4ECYP1A2NTRK1IGF1R
SCHEMBL25027490 0.74 GSK3B (0.30)
SCHEMBL30793996 0.74 GSK3B (0.30)

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
CN-117751119-A Potassium channel modulators 奥蒂福尼疗法有限公司 2024-03-22 CN claimed
CN-117751119-A Potassium channel modulators 奥蒂福尼疗法有限公司 2024-03-22 CN disclosed
WO-2023017263-A1 POTASSIUM CHANNEL MODULATORS AUTIFONY THERAPEUTICS LIMITED (GB) 2023-02-16 WO disclosed