SCHEMBL28175265

SCHEMBL28175265

CC(=O)c1ccnnc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NAPRT Q6XQN6 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
P2RX7 Q99572 1/20 0.32
PRKCI P41743 2/20 0.32
BRD4 O60885 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
SCHEMBL29955782 0.81 NAPRT (0.53) ALDH1A1KDM4EKMT2AMEN1KDM6B
SCHEMBL21355935 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EKMT2AMAPTGLA
SCHEMBL25863829 0.77 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1KDM4ETDP1KDM5B
SCHEMBL277947 0.77 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4EKMT2AMAPT
SCHEMBL25863831 0.77 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL25863834 0.72 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1KDM4EKMT2AMEN1
SCHEMBL1322157 0.71 NAPRT (0.68) SMN1; SMN2ALDH1A1KDM4EMAPTTDP1
SCHEMBL29489950 0.71 NAPRT (0.68) SMN1; SMN2ALDH1A1KDM4EMAPTTDP1
SCHEMBL30898769 0.71 NOS3 (0.48) SMN1; SMN2ALDH1A1KDM4CNAPRTPRKCI
SCHEMBL13911137 0.71 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT

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
CN-107074805-A GLS1 inhibitor for treating disease 德州大学系统董事会 2017-08-18 CN disclosed