SCHEMBL16954266

SCHEMBL16954266

C[C](C)c1cc(C(F)(F)F)ccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.49
▸ JAK1 P23458 1/20 0.49
▸ TYK2 P29597 1/20 0.49
▸ PDE2A O00408 2/20 0.49
▸ GAA P10253 1/20 0.44
▸ CES2 O00748 2/20 0.44
▸ TSHR P16473 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ MRGPRX4 Q96LA9 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40

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
SCHEMBL1199588 0.85 JAK2 (0.57) JAK2JAK1TYK2PDE2AGAA
SCHEMBL30740081 0.85 JAK2 (0.57) JAK2JAK1TYK2PDE2AGAA
SCHEMBL14533723 0.85 JAK2 (0.47) JAK2JAK1TYK2PDE2AGAA
SCHEMBL16959559 0.82 PDE2A (0.47) JAK2JAK1TYK2PDE2AGAA
SCHEMBL16950454 0.80 JAK2 (0.43) JAK2JAK1TYK2PDE2AGAA
SCHEMBL10658142 0.80 JAK2 (0.56) JAK2JAK1TYK2PDE2ACES2
SCHEMBL78221 0.78 MRGPRX4 (0.61) JAK2JAK1TYK2CES2ALDH1A1
SCHEMBL477732 0.78 JAK2 (0.55) JAK2JAK1TYK2PDE2ACES2
SCHEMBL629096 0.77 CASP1 (0.55) JAK2JAK1TYK2CES2TSHR
Hydrochloric Acid SCHEMBL18861026 0.77 MRGPRX4 (0.59) JAK2JAK1TYK2CES2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 — — EP disclosed
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