SCHEMBL17340697

SCHEMBL17340697

O=Nc1c(CN2CCN(Cc3ccccc3)CC2)ccn(Cc2ccccc2)c1=O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 2/20 0.67
EGLN1 Q9GZT9 2/20 0.67
SIGMAR1 Q99720 6/20 0.49
MC4R P32245 1/20 0.43
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
ATM Q13315 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 1/20 0.43
DRD4 P21917 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HDAC4 P56524 1/20 0.42
KCNH2 Q12809 1/20 0.42
HDAC1 Q13547 1/20 0.42
GRM2 Q14416 1/20 0.42
HTT P42858 1/20 0.41
ALDH3A1 P30838 1/20 0.41

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
SCHEMBL17340661 0.92 VEGFA (0.57) VEGFAEGLN1SIGMAR1ALDH1A1
SCHEMBL17340685 0.85 EGLN1 (0.50) VEGFAEGLN1ALDH1A1
SCHEMBL17340662 0.84 VEGFA (0.49) VEGFAEGLN1ALDH1A1SMN1; SMN2DRD4
SCHEMBL278202 0.81 VEGFA (1.00) VEGFAEGLN1SIGMAR1ALDH1A1KDM4E
SCHEMBL17340673 0.75 EGLN1 (0.71) VEGFAEGLN1SMN1; SMN2
SCHEMBL17340652 0.74 VEGFA (0.60) VEGFAEGLN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15314777 0.74 CNR2 (0.42) VEGFAEGLN1ALDH1A1KDM4ELMNA
SCHEMBL273037 0.74 EGLN1 (0.87) VEGFAEGLN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL272076 0.74 VEGFA (0.85) VEGFAEGLN1MC4RALDH1A1KDM4E
SCHEMBL272116 0.74 VEGFA (0.85) VEGFAEGLN1ALDH1A1KDM4ESMN1; 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
EP-2954899-A1 COMPOSITIONS AND METHODS FOR TREATING COLITIS Aerpio Therapeutics, Inc. (US) 2015-12-16 EP disclosed