SCHEMBL6509689

SCHEMBL6509689

Cc1cc(N2CCN(c3ccccc3)CC2)nc2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.78
KDM4E B2RXH2 13/20 0.78
MAPT P10636 11/20 0.78
ALDH1A1 P00352 9/20 0.78
L3MBTL1 Q9Y468 4/20 0.78
GAA P10253 6/20 0.77
HPGD P15428 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
ACHE P22303 1/20 0.75
ADRB1 P08588 1/20 0.71
NCF1 P14598 1/20 0.71
POLB P06746 1/20 0.66
ALOX12 P18054 1/20 0.66
TDP1 Q9NUW8 1/20 0.56
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
NFKB1 P19838 1/20 0.56
HTT P42858 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56

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
SCHEMBL5910282 0.88 KMT2A (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL26723750 0.87 KDM4E (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL19051441 0.86 KDM4E (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL6509340 0.86 KDM4E (0.70) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL29351521 0.86 KDM4E (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL14975993 0.86 KDM4E (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL5910684 0.84 KMT2A (0.72) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL4821642 0.83 NCF1 (1.00) KMT2AKDM4EMAPTALDH1A1L3MBTL1
SCHEMBL3971448 0.80 KMT2A (0.67) KMT2AKDM4EMAPTALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL3971486 0.79 KMT2A (0.65) KMT2AKDM4EMAPTALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005087742-A1 METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES EXELIXIS, INC. (US) 2005-09-22 WO claimed
WO-2005087742-A1 METABOLIC KINASE MODULATORS AND METHODS OF USE AS PESTICIDES EXELIXIS, INC. (US) 2005-09-22 WO disclosed