SCHEMBL20108746

SCHEMBL20108746

CCOCC(C)(C)N1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.61
SMO Q99835 3/20 0.53
MEN1 O00255 9/20 0.51
NPSR1 Q6W5P4 4/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
POLB P06746 1/20 0.50
ADRB2 P07550 1/20 0.50
KDR P35968 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
PKM P14618 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL20108747 0.81 KMT2A (0.61) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL20109683 0.78 SMO (0.67) KMT2ASMOMEN1POLBADRB2
SCHEMBL20108763 0.76 KMT2A (1.00) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL20109380 0.76 KMT2A (0.62) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL20109654 0.74 KDR (0.66) KMT2ASMOMEN1POLBADRB2
SCHEMBL2023384 0.74 KMT2A (0.74) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL20109351 0.73 KMT2A (0.70) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL21221762 0.73 SMO (0.66) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL20108803 0.72 SMO (0.67) KMT2ASMOMEN1NPSR1ALDH1A1
SCHEMBL21221773 0.71 KMT2A (0.71) KMT2ASMOMEN1NPSR1ALDH1A1

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-2018080216-A1 PHENYL PHTHALAZINE DERIVATIVE, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2018-05-03 WO disclosed