SCHEMBL20108763

SCHEMBL20108763

CN1CCN(c2nnc(-c3ccc(Cl)cc3)c3ccccc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 1.00
SMO Q99835 3/20 0.64
MEN1 O00255 5/20 0.59
ALDH1A1 P00352 3/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
NPSR1 Q6W5P4 5/20 0.58
MAPK1 P28482 3/20 0.58
KDR P35968 2/20 0.57
HTT P42858 3/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
LMNA P02545 2/20 0.54
MAPT P10636 2/20 0.54
PKM P14618 1/20 0.54
HSD17B10 Q99714 2/20 0.54
POLB P06746 1/20 0.54

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
SCHEMBL2023384 0.85 KMT2A (0.74) KMT2ASMOMEN1ALDH1A1L3MBTL1
SCHEMBL21221773 0.83 KMT2A (0.71) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL20109603 0.83 KMT2A (0.71) KMT2ASMOMEN1ALDH1A1L3MBTL1
SCHEMBL20108806 0.83 KMT2A (0.70) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL21239113 0.83 HSD17B10 (0.80) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL21239006 0.82 KMT2A (0.70) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL20109351 0.82 KMT2A (0.70) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL20108795 0.81 NPSR1 (0.81) KMT2ASMOMEN1ALDH1A1NPSR1
SCHEMBL17207511 0.81 KMT2A (0.73) KMT2ASMOMEN1ALDH1A1L3MBTL1
SCHEMBL20108810 0.80 KMT2A (0.67) KMT2ASMOMEN1ALDH1A1NPSR1

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