SCHEMBL9429952

SCHEMBL9429952

Fc1ccc2c(N3CCOCC3)nc(Cl)nc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
MAPK14 Q16539 1/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 3/20 0.47
HPGD P15428 2/20 0.47
PIK3CA P42336 1/20 0.47
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
PRKDC P78527 6/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 3/20 0.45
GLA P06280 1/20 0.45
GAA P10253 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 1/20 0.43
USP2 O75604 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL9404419 0.89 SMN1; SMN2 (0.59) SMN1; SMN2MAPK14KDM4EMAPK1HPGD
SCHEMBL17565791 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EMAPK1HPGDPIK3CA
SCHEMBL3718191 0.83 SMN1; SMN2 (0.62) SMN1; SMN2KDM4EMAPK1HPGDPIK3CA
SCHEMBL2726311 0.83 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EMAPK1HPGDPIK3CA
SCHEMBL8408287 0.80 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHPGDPIK3CAPRKDC
SCHEMBL2725465 0.80 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EHPGDPIK3CAPRKDC
SCHEMBL2420833 0.80 PRKDC (0.73) SMN1; SMN2KDM4EMAPK1PIK3CAPRKDC
SCHEMBL4095134 0.80 KDM4E (0.69) SMN1; SMN2KDM4EMAPK1HPGDLMNA
SCHEMBL2726410 0.78 SMN1; SMN2 (0.60) SMN1; SMN2MAPK14KDM4EMAPK1HPGD
SCHEMBL2725541 0.78 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EMAPK1HPGDPIK3CA

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-5371080-A Central nervous system disorders NOVO NORDISK A/S 1994-12-06 US disclosed