SCHEMBL29789946

SCHEMBL29789946

O=c1c2ocnc2c2ccc(C(F)(F)F)nc2n1-c1ccccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 16/20 0.58
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 1/20 0.36
S1PR4 O95977 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
S1PR1 P21453 1/20 0.36
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 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
SCHEMBL24596171 1.00 MAT2A (0.58) MAT2AALDH1A1KDM4ES1PR4GLA
SCHEMBL24596305 0.91 MAT2A (0.58) MAT2AALDH1A1KDM4ES1PR4GLA
SCHEMBL29790004 0.91 MAT2A (0.58) MAT2AALDH1A1KDM4ES1PR4GLA
SCHEMBL29790042 0.79 MAT2A (0.44) MAT2A
SCHEMBL24596226 0.79 MAT2A (0.44) MAT2A
SCHEMBL24596304 0.79 MAT2A (0.56) MAT2AALDH1A1KDM4ES1PR4GLA
SCHEMBL29789928 0.77 MAT2A (0.57) MAT2A
SCHEMBL24596308 0.77 MAT2A (0.57) MAT2A
SCHEMBL24596249 0.77 MAT2A (0.64) MAT2A
SCHEMBL29789938 0.77 MAT2A (0.64) MAT2A

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
WO-2022143864-A1 TRICYCLIC COMPOUND AND USE THEREOF 江苏先声药业有限公司 2022-07-07 WO disclosed