SCHEMBL10672018

SCHEMBL10672018

NNC(=O)c1ncn2ccccc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALDH1A1 P00352 7/20 0.46
GAA P10253 7/20 0.46
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.40
POLB P06746 1/20 0.40
AOC2 O75106 2/20 0.40
KMT2A Q03164 1/20 0.39
P2RX7 Q99572 2/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
FHIT P49789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL25111330 0.84 IDO1 (0.38) MAPTCYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL23937876 0.84 YTHDC1 (0.40) MAPTCYP1A2CYP3A4GAAIDO1
SCHEMBL2631241 0.81 ELANE (0.41) MAPTCYP1A2CYP3A4ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL29810611 0.80 ELANE (0.40) MAPTCYP1A2CYP3A4ALDH1A1KDM4E
SCHEMBL13578088 0.80 CNR2 (0.54) CYP3A4
SCHEMBL415747 0.80 TSHR (0.42) MAPTCYP3A4ALDH1A1GAAKDM4E
SCHEMBL15596028 0.78 BAZ2B (0.41) ALDH1A1NPC1L3MBTL1POLBKMT2A
SCHEMBL26930782 0.78 NPC1 (0.46) MAPTALDH1A1NPC1L3MBTL1KMT2A
SCHEMBL2743132 0.77 KDM4E (0.46) MAPTALDH1A1GAAKDM4EL3MBTL1
SCHEMBL13578083 0.77 NPC1 (0.49) MAPTCYP1A2CYP3A4ALDH1A1GAA

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-4794120-A BACTERICIDES, FUNGICIDES SYNTHELABO (FR) 1988-12-27 US disclosed