SCHEMBL30339596

SCHEMBL30339596

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.41
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
THRB P10828 1/20 0.38
HSD17B10 Q99714 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
F2RL3 Q96RI0 1/20 0.37
NR1I2 O75469 1/20 0.37
EGFR P00533 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
TBXA2R P21731 1/20 0.37

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
SCHEMBL30339960 0.92 MAPT (0.42) PTGER1ALDH1A1POLBKMT2AKDM4E
SCHEMBL30339611 0.90 MAPT (0.46) PTGER1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30339554 0.90 KDM4E (0.39) PTGER1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30339641 0.89 KMT2A (0.51) PTGER1ALDH1A1POLBKMT2AKDM4E
SCHEMBL30339802 0.88 ALDH1A1 (0.45) ALDH1A1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL30340221 0.88 ALDH1A1 (0.41) ALDH1A1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL30339587 0.86 THRB (0.34) ALDH1A1POLBKMT2AKDM4ESMN1; SMN2
SCHEMBL30339514 0.85 MAPT (0.42) PTGER1ALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL30339910 0.84 ALDH1A1 (0.43) PTGER1ALDH1A1POLBKMT2AKDM4E
SCHEMBL30340291 0.84 MAPT (0.42) PTGER1ALDH1A1KMT2AKDM4ESMN1; 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