SCHEMBL5072223

SCHEMBL5072223

O=C(Nc1ccccc1)c1ccccc1CNc1nnc(Cl)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.49
ALDH1A1 P00352 4/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ADRB2 P07550 1/20 0.47
HIF1A Q16665 2/20 0.45
HTT P42858 3/20 0.44
USP2 O75604 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
AURKA O14965 2/20 0.42
RPS6KB1 P23443 2/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40

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
SCHEMBL5067327 0.86 ALDH1A1 (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL2459765 0.74 PPARG (0.49) ALDH1A1HPGDHTTAURKARPS6KB1
SCHEMBL1193435 0.71 BCAT2 (0.72) BCAT2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL5069647 0.71 HIF1A (0.47) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL5069668 0.68 HIF1A (0.44) ALDH1A1KDM4EHPGDSMN1; SMN2HIF1A
SCHEMBL19259498 0.68 BCAT2 (0.72) BCAT2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL2459861 0.67 JAK2 (0.53) ALDH1A1KDM4EHPGDSMN1; SMN2HTT
SCHEMBL27819009 0.67 BCAT2 (0.70) BCAT2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL18397802 0.67 BCAT2 (0.70) BCAT2ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL10338919 0.67 GOT1 (0.61) ALDH1A1KDM4EHPGDSMN1; SMN2CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 EP disclosed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 WO disclosed