SCHEMBL19650376

SCHEMBL19650376

COc1ccc(-c2nc(N)sc2N)cc1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.60
WDR5 P61964 1/20 0.60
ALDH1A1 P00352 4/20 0.53
MAPT P10636 4/20 0.53
KDM4E B2RXH2 4/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
TP53 P04637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
KMT2A Q03164 1/20 0.53
HPGD P15428 1/20 0.51
ADORA1 P30542 2/20 0.51
PKM P14618 1/20 0.50
LMNA P02545 1/20 0.50
XBP1 P17861 1/20 0.50
MAPK1 P28482 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
FBP1 P09467 1/20 0.48

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
SCHEMBL8067414 0.86 MAPT (0.69) MYCWDR5ALDH1A1MAPTKDM4E
Hydrochloric Acid SCHEMBL9548025 0.84 KDM4E (0.67) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL558439 0.84 ALDH1A1 (0.68) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL19638079 0.83 MYC (0.57) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL19638014 0.83 MYC (0.57) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL25804366 0.80 ALDH1A1 (0.72) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL20767251 0.80 ALDH1A1 (0.67) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL16669665 0.80 ALDH1A1 (0.75) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL10120487 0.79 KDM4E (0.59) MYCWDR5ALDH1A1MAPTKDM4E
SCHEMBL7050538 0.79 MAPT (0.59) MYCWDR5ALDH1A1MAPTKDM4E

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
EP-3248964-A1 THIAZOLE MODULATORS OF A3 ADENOSINE RECEPTORS PALOBIOFARMA S.L. (ES) 2017-11-29 EP disclosed