SCHEMBL9013944

SCHEMBL9013944

CCN(CC)c1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(N(CC)CC)cc3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
KDM4E B2RXH2 2/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
USP2 O75604 1/20 0.46
MAPK1 P28482 1/20 0.46
CTNNB1 P35222 1/20 0.46
ATM Q13315 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CNR2 P34972 2/20 0.46
CYP19A1 P11511 1/20 0.45
ESR1 P03372 4/20 0.44
ESR2 Q92731 4/20 0.44
LTB4R Q15722 1/20 0.43
TERT O14746 1/20 0.43
KDM1A O60341 1/20 0.43
TRPV1 Q8NER1 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
SCHEMBL10661566 1.00 KMT2A (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14802052 0.94 KMT2A (0.57) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14801996 0.90 KDM4E (0.51) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14819129 0.89 ESR1 (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14805219 0.88 MAPT (0.51) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8623343 0.87 LTB4R (0.43) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14805217 0.87 MEN1 (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL8616876 0.87 MEN1 (0.47) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14819165 0.86 CYP1A2 (0.45) KDM4EMAPTALDH1A1CNR2ESR1
SCHEMBL14805212 0.85 CNR2 (0.45) KMT2AMEN1MAPTALDH1A1L3MBTL1

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-5558700-A QUINAZOLENE OR PYRIDINE ELECTRON DONOR, ELECTRON ACCEPTOR THE PILOT INK CO., LTD. (JP) 1996-09-24 US disclosed