SCHEMBL4463697

SCHEMBL4463697

Nc1ccccc1-n1cncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
CYP2A6 P11509 1/20 0.43
KDM4E B2RXH2 4/20 0.42
GAA P10253 3/20 0.42
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 1/20 0.39
TP53 P04637 1/20 0.39
HTT P42858 1/20 0.39
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KEAP1 Q14145 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
ACHE P22303 1/20 0.38
MAPT P10636 2/20 0.37
CYP19A1 P11511 2/20 0.36
ADRA2C P18825 1/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36

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
SCHEMBL21893412 0.76 LMNA (0.43) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL2659709 0.76 LMNA (0.43) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL6656755 0.76 CYP1A2 (0.48) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL29984835 0.76 CYP1A2 (0.48) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL2463773 0.76 LMNA (0.43) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL27952899 0.76 LMNA (0.43) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL2917479 0.76 LMNA (0.43) LMNACYP2A6KDM4EALDH1A1SMN1; SMN2
SCHEMBL5537234 0.76 ALDH1A1 (0.43) LMNACYP2A6KDM4EMEN1KMT2A
SCHEMBL30332313 0.76 LMNA (0.43) LMNACYP2A6KDM4EALDH1A1SMN1; SMN2
SCHEMBL4611825 0.76 LMNA (0.43) LMNACYP2A6KDM4EALDH1A1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009090548-A2 3-AZABICYCLO [3.1.0] HEXANE DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GLENMARK PHARMACEUTICALS, S.A. (US) 2009-07-23 WO disclosed
WO-2001087845-A2 N-CONTAINING HETEROCYCLIC COMPOUNDS AND THEIR USE AS 5-HT ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-11-22 WO disclosed