SCHEMBL20108811

SCHEMBL20108811

COC1CCN(c2nnc(-c3ccc(Cl)cc3)c3c2/C=C\CC/C=C\3)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 6/20 0.41
MEN1 O00255 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.36
SMO Q99835 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDE5A O76074 2/20 0.33
MCHR1 Q99705 1/20 0.33
MAOB P27338 2/20 0.32
HTR6 P50406 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL20108810 0.79 KMT2A (0.67) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL293214 0.67 HTR3E (0.48) KMT2AMEN1MAPTMAPK1
SCHEMBL20109380 0.67 KMT2A (0.62) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL21239325 0.64 KMT2A (0.58) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL14544921 0.64 CKS1B (0.47)
SCHEMBL20109613 0.62 SMO (0.57) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL17678343 0.62 GAA (0.42) MAPTALDH1A1HPGD
SCHEMBL10811062 0.62 MAPT (0.48) KMT2ANPSR1MEN1HTTLMNA
SCHEMBL20108970 0.62 HRH4 (0.38) KMT2ASMO
SCHEMBL24681521 0.62 NOTUM (0.51) KMT2AMEN1HTTLMNAMAPT

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