SCHEMBL30339641

SCHEMBL30339641

C=C(OC(=O)C(C)(C)Cn1nc(-c2ccccc2)c2ccccc21)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 2/20 0.50
TSHR P16473 3/20 0.46
F2RL3 Q96RI0 1/20 0.44
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.39
RORC P51449 3/20 0.39
MAPT P10636 2/20 0.39
HTR3A P46098 1/20 0.37
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
PTGER1 P34995 1/20 0.36
RAB9A P51151 1/20 0.36

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
SCHEMBL30340308 0.93 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339802 0.93 ALDH1A1 (0.45) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339912 0.92 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339939 0.92 KDM4E (0.43) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30340214 0.92 KMT2A (0.45) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339629 0.91 KDM4E (0.46) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30340221 0.90 ALDH1A1 (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339891 0.90 KDM4E (0.41) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339960 0.89 MAPT (0.42) KMT2AKDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL30339596 0.89 PTGER1 (0.41) KMT2AKDM4ESMN1; 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