SCHEMBL6337979

SCHEMBL6337979

CC(C)(C)C1CCC(Nc2nnc(CCc3cccnc3)c3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FLT1 P17948 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ GBA1 P04062 12/20 0.41
▸ LMNA P02545 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ PKM P14618 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE7A Q13946 1/20 0.37

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
SCHEMBL6223355 0.83 ALDH1A1 (0.41) KDM4EGBA1LMNAALDH1A1POLB
SCHEMBL1383369 0.83 ALDH1A1 (0.41) KDM4EGBA1LMNAALDH1A1POLB
SCHEMBL6219896 0.83 ALDH1A1 (0.41) KDM4EGBA1LMNAALDH1A1POLB
SCHEMBL4820832 0.81 KDR (0.55) FLT1KDM4EHSD17B10POLB
SCHEMBL14267794 0.73 FLT1 (0.65) FLT1LMNAALDH1A1MEN1KMT2A
SCHEMBL12384586 0.72 ALDH1A1 (0.68) KDM4ELMNAALDH1A1MAPTPKM
SCHEMBL6612202 0.70 FLT1 (0.63) FLT1KDM4EHSD17B10
SCHEMBL6223769 0.69 GBA1 (0.53) GBA1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL1386115 0.69 GBA1 (0.53) GBA1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL6223107 0.69 GBA1 (0.53) GBA1LMNAPOLBMAPTSMN1; SMN2

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-6911440-B2 Phthalazine derivatives for treating inflammatory diseases NOVARTIS AG (CH) 2005-06-28 — — US disclosed
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