SCHEMBL6860784

SCHEMBL6860784

CC1C(=O)NC(=O)c2c1ncn2C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.31
CYP3A4 P08684 2/20 0.30
PMP22 Q01453 2/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
BLM P54132 1/20 0.30
MAPK1 P28482 1/20 0.30
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30

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
SCHEMBL6860825 0.70 MEN1 (0.44) BLM
SCHEMBL20011291 0.62 GDA (0.31) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL19152808 0.61 GSK3B (0.47)
SCHEMBL20011085 0.60 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL10104855 0.60 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL9885817 0.59 SRC (0.33) GDACYP3A4PMP22ALDH1A1LMNA
SCHEMBL19153038 0.57 GSK3B (0.56) ALDH1A1MAPT
SCHEMBL18342514 0.57
SCHEMBL17813545 0.56 PDE3B (0.36) DDB1CRBN
SCHEMBL13177050 0.56 GDA (0.32) GDACYP3A4PMP22ALDH1A1LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9610235-B2 Methods and compositions to improve mechanical resistance of teeth THEOCORP HOLDING CO., LLC (US) 2017-04-04 US disclosed
US-9610235-B2 Methods and compositions to improve mechanical resistance of teeth THEOCORP HOLDING CO., LLC (US) 2017-04-04 US disclosed
WO-2011100671-A2 METHODS AND COMPOSITIONS TO IMPROVE MECHANICAL RESISTANCE OF TEETH THEOCORP HOLDING CO., LLC (US) 2011-08-18 WO disclosed