SCHEMBL19749170

SCHEMBL19749170

CC(C)(C)c1nc2cc3[nH]c(-c4cc(O)c(C(C)(C)C)cc4O)nc3cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 4/20 0.46
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
ATP2A2 P16615 1/20 0.41
ATP2A3 Q93084 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
F2 P00734 3/20 0.38
F10 P00742 3/20 0.38
PLG P00747 3/20 0.38
PLAU P00749 3/20 0.38
PRSS1 P07477 3/20 0.38
SCN10A Q9Y5Y9 2/20 0.37
KCNH2 Q12809 1/20 0.37
PLAT P00750 2/20 0.36

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
SCHEMBL19749197 0.84 ALDH1A1 (0.36) AMY1AALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL17191842 0.74 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL12250680 0.71 HDAC6 (0.61) SCN10AKCNH2
SCHEMBL13896654 0.71 AMY1A (0.39) AMY1AKDM4EMAPTF2F10
SCHEMBL19749274 0.71 SCN10A (0.44) ALDH1A1SMN1; SMN2L3MBTL1SCN10AKCNH2
SCHEMBL846648 0.70 KDM4E (0.56) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL6359325 0.69 AMY1A (0.57) AMY1AALDH1A1SMN1; SMN2KDM4ECYP1A2
SCHEMBL12250677 0.69 KMT2A (0.48) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL12250679 0.69 SCN10A (0.47) ALDH1A1SMN1; SMN2KDM4ECYP1A2MAPT
SCHEMBL18659837 0.68 ALDH1A1 (0.56) AMY1AALDH1A1SMN1; SMN2KDM4ECYP1A2

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
US-9850596-B2 Composites comprising rigid-rod polymers and graphene nanoparticles and process for making the same TJC Polymer Inc. (US) 2017-12-26 US disclosed