SCHEMBL29943530

SCHEMBL29943530

Cc1nn(-c2ccccc2)c(C)c1C=N

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.64
ALOX15 P16050 1/20 0.64
SMN1; SMN2 Q16637 5/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
KDM4E B2RXH2 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
POLB P06746 1/20 0.54
APEX1 P27695 1/20 0.54
MAPT P10636 5/20 0.54
GAA P10253 3/20 0.54
MAPK1 P28482 2/20 0.52
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.51
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 1/20 0.48
SMO Q99835 1/20 0.48
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1779819 0.82 HTT (0.64) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL8859357 0.79 HTT (0.74) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL1777959 0.77 HTT (0.57) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL1777962 0.77 HTT (0.57) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL6966371 0.76 SMN1; SMN2 (1.00) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL2453964 0.75 SMN1; SMN2 (0.66) HTTALOX15SMN1; SMN2MEN1KMT2A
Water SCHEMBL11652814 0.74 SMN1; SMN2 (0.96) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL11330176 0.72 SMN1; SMN2 (0.61) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL31755975 0.72 SMN1; SMN2 (0.61) HTTALOX15SMN1; SMN2MEN1KMT2A
SCHEMBL12770947 0.72 MEN1 (0.65) HTTALOX15SMN1; SMN2MEN1KMT2A

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-2022204377-A1 NOVEL CHEMICAL COMBINATIONS AND METHODS OF USE THEREOF, TOWARDS DIFFERENTIATION OF HUMAN PROGENITOR CELLS INTO FUNCTIONAL β CELLS SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-09-29 WO disclosed