SCHEMBL9688059

SCHEMBL9688059

Cc1cc(C)nc(C(=N)NN)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 1/20 0.36
POLB P06746 1/20 0.36
APOBEC3G Q9HC16 1/20 0.36
GAA P10253 5/20 0.35
MAPK1 P28482 2/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 4/20 0.34
PKM P14618 2/20 0.34
MAPT P10636 3/20 0.33
LMNA P02545 1/20 0.33
P2RX7 Q99572 1/20 0.33
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
ATM Q13315 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL9687873 0.83 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1HTTPOLB
SCHEMBL108078 0.82 P2RX7 (0.36) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL9685817 0.75 CYP1A2 (0.42) ALDH1A1KMT2AHTTPOLBNPC1
SCHEMBL10626117 0.73 HTT (0.45) ALDH1A1KMT2AMEN1HTTPOLB
Hydrochloric Acid SCHEMBL10628171 0.71 HTT (0.43) ALDH1A1KMT2AMEN1HTTPOLB
SCHEMBL6454723 0.67 P2RX7 (0.62) KMT2AMEN1MAPTP2RX7NOS3
SCHEMBL6450016 0.67 P2RX7 (0.54) ALDH1A1GAANPC1PKMP2RX7
SCHEMBL22804462 0.67 MAPT (0.48) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL949243 0.65 GAA (0.45) ALDH1A1KMT2AMEN1POLBAPOBEC3G
SCHEMBL1179224 0.64 GAA (0.37) ALDH1A1KMT2AMEN1HTTPOLB

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-0484750-A1 Substituted sulfonylaminotriazolylpyrimidines BAYER AG (DE) 1992-05-13 EP disclosed