SCHEMBL30339554

SCHEMBL30339554

C=C(OC(=O)C(C)(C)Cn1nc(-c2ccccc2)c2ccc(Br)cc21)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
PTGER1 P34995 1/20 0.39
HSD17B10 Q99714 2/20 0.38
RORC P51449 1/20 0.38
MAPT P10636 1/20 0.36
TSHR P16473 2/20 0.35
GAA P10253 1/20 0.35
ELANE P08246 1/20 0.35
F2RL3 Q96RI0 1/20 0.35
PTGFR P43088 8/20 0.34

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
SCHEMBL30340291 0.93 MAPT (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339596 0.90 PTGER1 (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339611 0.89 MAPT (0.46) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339641 0.88 KMT2A (0.51) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339619 0.85 PTGER1 (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339514 0.84 MAPT (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30340011 0.84 PTGER1 (0.41) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339960 0.84 MAPT (0.42) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339763 0.83 PTGER1 (0.44) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA
SCHEMBL30339549 0.83 MAPT (0.56) KDM4EKMT2ASMN1; SMN2ALDH1A1LMNA

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
CN-116003326-A Synthesis method of trifluoromethyl indazole-containing derivative 河南师范大学 2023-04-25 CN disclosed