SCHEMBL30736662

SCHEMBL30736662

CC(C)(C)OC(=O)c1ccccc1CBr

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
LMNA P02545 1/20 0.45
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
KCNA5 P22460 1/20 0.40
TSHR P16473 3/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
AKT1 P31749 1/20 0.38
EGFR P00533 1/20 0.38
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37
SCN3A Q9NY46 1/20 0.37
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL319240 1.00 ALDH1A1 (0.45) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL10433539 0.87 KCNA5 (0.47) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL5476839 0.87 ALDH1A1 (0.46) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL951581 0.86 TSHR (0.46) ALDH1A1LMNAADRA1AADRA1BTSHR
SCHEMBL7675373 0.84 ALDH1A1 (0.42) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL3499475 0.84 LMNA (0.44) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL28626456 0.84 PDK1 (0.36) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL15000886 0.84 MRGPRX4 (0.39) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL30000533 0.84 PDK1 (0.36) ALDH1A1LMNAADRA1AADRA1BKCNA5
SCHEMBL18481771 0.83 ALDH1A1 (0.45) ALDH1A1LMNAADRA1AADRA1BKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120136780-A Fluopicolide hapten and artificial antigen as well as preparation methods and applications thereof 中国海关科学技术研究中心 2025-06-13 CN claimed
CN-120136780-A Fluopicolide hapten and artificial antigen as well as preparation methods and applications thereof 中国海关科学技术研究中心 2025-06-13 CN disclosed
EP-4562016-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
EP-4561575-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 EP disclosed
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed