SCHEMBL9799203

SCHEMBL9799203

CN(C)C(=O)Nc1cccc(OCCOc2ccccc2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.53
RAB9A P51151 4/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
THRB P10828 1/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
MAPK1 P28482 1/20 0.50
CYP2D6 P10635 1/20 0.50

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
SCHEMBL10801844 0.89 SIRT2 (0.56) RAB9AKMT2AKDM1AMAOB
SCHEMBL11360828 0.89 LMNA (0.62) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10807106 0.87 NR1H4 (0.57) RAB9AKMT2ASMN1; SMN2KDM1AMAOB
SCHEMBL10806965 0.86 PDK1 (0.61) NPC1RAB9AMEN1KMT2AMAOB
SCHEMBL11356870 0.86 THRB (0.52) MEN1KMT2AKDM1AMAOBTHRB
SCHEMBL11425817 0.84 MTNR1A (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11198895 0.84 HTT (0.53) KDM1AMAOBTHRB
SCHEMBL11133791 0.82 NPY5R (0.55) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10805203 0.82 SIRT2 (0.58) SMN1; SMN2THRBALDH1A1CYP1A2CYP3A4
SCHEMBL11630497 0.81 SMN1; SMN2 (0.50) RAB9AMEN1KMT2ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015762-A Alkoxy substituted ureas as herbicides BASF AKTIENGESELLSCHAFT (DE) 1991-05-14 US disclosed
US-4422871-A Aralkylphenylureas and herbicides containing these BASF AKTIENGESELLSCHAFT (DE) 1983-12-27 US disclosed