SCHEMBL8004565

SCHEMBL8004565

O=C(NCC1c2ccccc2-c2ccccc21)Nc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.50
KMT2A Q03164 5/20 0.49
HTT P42858 3/20 0.49
MAPK1 P28482 2/20 0.49
TP53 P04637 1/20 0.49
HPGD P15428 1/20 0.49
TSHR P16473 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
CYP1A2 P05177 1/20 0.48
NPC1 O15118 3/20 0.46
RAB9A P51151 3/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 4/20 0.45
TAS1R3 Q7RTX0 2/20 0.45
TAS1R1 Q7RTX1 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 2/20 0.44
POLB P06746 2/20 0.44
LMNA P02545 1/20 0.44
CASP3 P42574 1/20 0.44

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
SCHEMBL29067330 0.76 EPHX2 (0.57) KMT2AHTTSMN1; SMN2KDM4EMEN1
SCHEMBL10458447 0.74 KDM4E (0.72) KMT2AHTTMAPK1HPGDSMN1; SMN2
SCHEMBL13480553 0.73 TAS1R3 (0.60) CASRKMT2AHTTMAPK1TP53
SCHEMBL88302 0.73 HTR2A (0.45) KMT2ATSHRCYP1A2MEN1MAPT
SCHEMBL1567087 0.73 HTR2A (0.45) KMT2ATSHRMAPT
SCHEMBL29579635 0.73 HTR2A (0.45) KMT2ATSHRCYP1A2MEN1MAPT
SCHEMBL7995243 0.72 NPC1 (0.57) CASRKMT2AHTTMAPK1TP53
SCHEMBL8598568 0.72 NPC1 (0.52) CASRKMT2AHTTMAPK1TP53
SCHEMBL21895871 0.72 MTNR1A (0.49) KMT2APOLB
SCHEMBL9499589 0.71 SOAT1 (0.51) KMT2ASMN1; SMN2LMNA

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-6060484-A Anti-viral method ELI LILLY AND COMPANY (US) 2000-05-09 US disclosed