SCHEMBL3434041

SCHEMBL3434041

O=C(CCN1CCC(C(=O)Nc2ccncc2)CC1)c1ccc(F)cc1.O=C(Nc1ccncc1)C1CCCN(C(=O)c2cccnc2)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.46
KMT2A Q03164 1/20 0.45
PTPN1 P18031 1/20 0.44
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
KLK7 P49862 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
HTR2A P28223 1/20 0.42
HTR7 P34969 1/20 0.42
DRD3 P35462 1/20 0.42
ALDH1A1 P00352 3/20 0.42
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
RHOA P61586 1/20 0.42

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
SCHEMBL1553367 0.84 PTPN1 (0.51) KMT2APTPN1HTTLMNAHTR1A
SCHEMBL1553823 0.84 RHOA (0.55) PKMKLK7RXFP1HTTLMNA
SCHEMBL2467773 0.78 HTR1A (0.60) KMT2AHTR1ADRD2DRD4HTR2A
SCHEMBL1554138 0.76 PTPN1 (0.60) KMT2APTPN1LMNAALDH1A1POLB
SCHEMBL192930 0.74 ALDH1A1 (0.69) PTPN1RAB9AHTTLMNAALDH1A1
SCHEMBL1552820 0.69 F10 (0.48) DRD2DRD3KDM4E
SCHEMBL21061548 0.69 GAA (0.56) SLC18A3KMT2APKMKLK7RXFP1
SCHEMBL30435357 0.69 GAA (0.56) SLC18A3KMT2APKMKLK7RXFP1
SCHEMBL7302157 0.69 ALDH1A1 (0.62) SLC18A3KMT2APKMKLK7RXFP1
SCHEMBL29259533 0.69 RHOA (0.78) RHOA

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
WO-2010048673-A1 MODULATION OF CELLULAR DIFFERENTIATION AND USES THEREFOR MURDOCH CHILDRENS RESEARCH INSTITUTE (AU) 2010-05-06 WO disclosed