SCHEMBL30339802

SCHEMBL30339802

C=C(OC(=O)C(C)(C)Cn1nc(-c2ccc(C)cc2)c2ccccc21)C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
F2RL3 Q96RI0 1/20 0.45
KMT2A Q03164 5/20 0.44
MEN1 O00255 4/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 2/20 0.42
TP53 P04637 2/20 0.42
ATM Q13315 1/20 0.40
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL30339641 0.93 KMT2A (0.51) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30340308 0.92 KDM4E (0.43) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30340214 0.91 KMT2A (0.45) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30339939 0.91 KDM4E (0.43) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30339912 0.91 KDM4E (0.43) ALDH1A1MAPTF2RL3KMT2ASMN1; SMN2
SCHEMBL30339629 0.90 KDM4E (0.46) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30340221 0.89 ALDH1A1 (0.41) ALDH1A1MAPTF2RL3KMT2AGAA
SCHEMBL30339960 0.88 MAPT (0.42) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30339596 0.88 PTGER1 (0.41) ALDH1A1MAPTF2RL3KMT2AMEN1
SCHEMBL30339897 0.87 SRC (0.46) ALDH1A1MAPTF2RL3KMT2ASMN1; 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 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