SCHEMBL9687873

SCHEMBL9687873

COc1cc(C)nc(C(=N)NN)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
LMNA P02545 3/20 0.39
MAPT P10636 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 3/20 0.39
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE2A O00408 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL9685817 0.91 CYP1A2 (0.42) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL9688059 0.83 ALDH1A1 (0.42) ALDH1A1LMNAMAPTHTTKMT2A
Hydrochloric Acid SCHEMBL17984719 0.79 ALDH1A1 (0.47) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL25300109 0.74 CYP1A2 (0.43) ALDH1A1LMNAMAPTNPSR1HTT
SCHEMBL9461179 0.73 ALDH1A1 (0.58) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL6694248 0.73 ALDH1A1 (0.57) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL882663 0.71 CYP1A2 (0.52) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL9847096 0.71 HTT (0.54) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL7013053 0.71 ALDH1A1 (0.50) ALDH1A1LMNAMAPTHIF1ANPSR1
SCHEMBL16571594 0.70 CYP1A2 (0.41) ALDH1A1LMNACYP1A2KDM4ESMN1; SMN2

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