SCHEMBL7950482

SCHEMBL7950482

CCc1ncnc(NC2CCN(C(=O)Oc3ccccc3)CC2)c1Cl

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
HSD17B10 Q99714 2/20 0.49
KDM4E B2RXH2 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
GAA P10253 1/20 0.48
NOS2 P35228 4/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HPGD P15428 1/20 0.46
NOS1 P29475 3/20 0.45
BTK Q06187 4/20 0.43
NPY2R P49146 1/20 0.43
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PAK1 Q13153 3/20 0.41
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7956403 0.82 GPR119 (0.54) ALDH1A1HSD17B10NOS2NPC1RAB9A
Bicarbonate SCHEMBL8746772 0.76 KDM4E (0.43) HSD17B10KDM4EHTTMEN1KMT2A
SCHEMBL8914933 0.75 BTK (0.47) BTK
SCHEMBL8746770 0.75 BTK (0.47) BTK
SCHEMBL8490628 0.74 PRCP (0.46) BTKMEN1
SCHEMBL8490623 0.74 PRCP (0.46) BTKMEN1
SCHEMBL8918770 0.73 POLB (0.50) ALDH1A1SMN1; SMN2HPGDBTKMAPT
SCHEMBL23323317 0.73 CNR1 (0.51) SMN1; SMN2MAPTMEN1KMT2APAK1
SCHEMBL8746781 0.73 BTK (0.46) KDM4EBTK
SCHEMBL8746780 0.73 BTK (0.46) KDM4EBTK

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-6300333-B1 COMPOUNDS AS FUNGICIDES, MITICIDES OR INSECTICIDES HOECHST SCHERING AGREVO GMBH (DE) 2001-10-09 US disclosed