SCHEMBL24129327

SCHEMBL24129327

Cc1nc2ncnn2c(N2CC(F)(F)C2)c1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAX2 Q02962 1/20 0.54
ALDH1A1 P00352 6/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
TSHR P16473 3/20 0.53
LMNA P02545 3/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 2/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
MAPT P10636 2/20 0.52
MBOAT4 Q96T53 8/20 0.51
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
ESR2 Q92731 1/20 0.45
KDM4E B2RXH2 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
SCHEMBL24129415 0.87 PAX2 (0.56) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129329 0.87 PAX2 (0.55) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24931541 0.85 MBOAT4 (0.48) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129236 0.81 PAX2 (0.63) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129343 0.81 PAX2 (0.63) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129395 0.80 PAX2 (0.61) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129393 0.77 PAX2 (0.54) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129211 0.77 PAX2 (0.54) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL24129332 0.76 PAX2 (0.50) PAX2ALDH1A1MEN1KMT2ATSHR
SCHEMBL18131066 0.75 PAX2 (0.60) PAX2ALDH1A1MEN1KMT2ATSHR

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-2021257614-A1 HETEROCYCLIC INHIBITORS OF ENPP1 VOLASTRA THERAPEUTICS, INC. (US) 2021-12-23 WO disclosed