SCHEMBL8699130

SCHEMBL8699130

CC(C1CCCCN1CCCC(=O)c1ccccc1)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.47
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TBXA2R P21731 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
ADRA1D P25100 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
GFER P55789 1/20 0.39

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
SCHEMBL8696854 0.94 ALDH1A1 (0.43) TBXAS1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL8698574 0.82 CYP17A1 (0.41)
SCHEMBL8696333 0.82 CYP17A1 (0.43)
SCHEMBL8698467 0.81 SIGMAR1 (0.41)
Hydrochloric Acid SCHEMBL8698582 0.81 CYP17A1 (0.41)
SCHEMBL8698076 0.78 CYP17A1 (0.44)
SCHEMBL8696866 0.77 CYP17A1 (0.41) KDM4E
SCHEMBL8701383 0.77 TBXAS1 (0.47) TBXAS1KMT2A
SCHEMBL8699135 0.77 TBXAS1 (0.58) TBXAS1ALDH1A1KMT2AKDM4EMEN1
SCHEMBL8701241 0.74 MEN1 (0.56) KMT2AMEN1TBXA2R

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-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed