SCHEMBL25401210

SCHEMBL25401210

C[CH]c1ncc(C(F)(F)F)cn1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.34
AGBL2 Q5U5Z8 1/20 0.34
NPSR1 Q6W5P4 3/20 0.33
ALDH1A1 P00352 5/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
TSHR P16473 1/20 0.32
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
KDM4E B2RXH2 4/20 0.31
HPGD P15428 1/20 0.31
PLAU P00749 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
NOS3 P29474 1/20 0.30
NOS2 P35228 1/20 0.30
APAF1 O14727 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL17574593 0.76 KMT2A (0.38) KMT2AAGBL2ALDH1A1LMNASMN1; SMN2
SCHEMBL21590604 0.76 KMT2A (0.36) KMT2AAGBL2NPSR1ALDH1A1LMNA
SCHEMBL21590605 0.76 KMT2A (0.36) KMT2AAGBL2NPSR1ALDH1A1LMNA
SCHEMBL2188896 0.72
SCHEMBL8894256 0.72 AGBL2 (0.41) KMT2AAGBL2NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1311750 0.71 KMT2A (0.43) KMT2ANPSR1ALDH1A1LMNASMN1; SMN2
SCHEMBL22265147 0.69 HPGD (0.37) KMT2AAGBL2NPSR1ALDH1A1SMN1; SMN2
SCHEMBL11287557 0.69 KMT2A (0.39) KMT2AAGBL2ALDH1A1SMN1; SMN2TSHR
SCHEMBL25402819 0.69
SCHEMBL28575507 0.68 KMT2A (0.35) KMT2AAGBL2NPSR1ALDH1A1SMN1; SMN2

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
WO-2024071216-A1 PYRAZOLE COMPOUND AND PEST CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学クロップ&ライフソリューション株式会社 2024-04-04 WO disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed