SCHEMBL30720830

SCHEMBL30720830

CCOC(=O)C=NNc1ccc(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
RAB9A P51151 1/20 0.47
HPGD P15428 2/20 0.46
USP2 O75604 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
GAA P10253 2/20 0.41
ATM Q13315 1/20 0.41
MAPK1 P28482 1/20 0.41
KDM4E B2RXH2 2/20 0.41

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
SCHEMBL13875566 1.00 MAPT (0.58) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL31757608 0.89 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31757610 0.89 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL31757605 0.89 KDM4E (0.51) MAPTALDH1A1MEN1KMT2AHPGD
SCHEMBL5817859 0.86 MAPT (0.49) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL27649304 0.83 KMT2A (0.50) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL28027567 0.78 MAPT (0.53) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL28027568 0.78 MAPT (0.53) MAPTALDH1A1MEN1KMT2ARAB9A
SCHEMBL10413923 0.78 EGFR (0.46) MAPTALDH1A1RAB9ANPC1SMN1; SMN2
SCHEMBL28826633 0.77 ALDH1A1 (0.47) MAPTALDH1A1MEN1KMT2ARAB9A

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-4555128-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES Bayer Aktiengesellschaft (DE) 2025-05-21 EP disclosed
WO-2024012791-A1 ELECTROCHEMICAL SYNTHESIS OF PYRAZOLINES AND PYRAZOLES BAYER AKTIENGESELLSCHAFT (DE) 2024-01-18 WO disclosed