SCHEMBL28577421

SCHEMBL28577421

Cc1ccc(C(=O)Nc2cc(CC(=O)O)nn2Cc2ccc(F)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 17/20 1.00
SMN1; SMN2 Q16637 2/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL28576256 0.88 P2RY14 (0.78) P2RY14SMN1; SMN2MEN1KMT2A
SCHEMBL28566528 0.86 P2RY14 (1.00) P2RY14
SCHEMBL28563307 0.80 P2RY14 (0.77) P2RY14SMN1; SMN2
SCHEMBL28571458 0.77 P2RY14 (0.87) P2RY14
SCHEMBL28572661 0.75 P2RY14 (1.00) P2RY14
SCHEMBL28570029 0.75 P2RY14 (0.64) P2RY14PTGDR2
SCHEMBL28914475 0.72 P2RY14 (0.70) P2RY14
SCHEMBL8512689 0.70 PTGDR2 (1.00) PTGDR2
SCHEMBL28577402 0.70 P2RY14 (0.72) P2RY14
SCHEMBL28569055 0.69 P2RY14 (0.54) P2RY14

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
CN-111423377-B 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2021-06-01 CN disclosed
CN-111423377-A 5-amino-1H-pyrazole derivative, preparation method and medical application 中国药科大学 2020-07-17 CN disclosed