SCHEMBL9614360

SCHEMBL9614360

C[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 1/20 0.51
ALDH1A1 P00352 1/20 0.46
AR P10275 1/20 0.43
CA9 Q16790 4/20 0.41
CA12 O43570 3/20 0.41
KMT2A Q03164 2/20 0.40
NPY4R P50391 3/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPY5R Q15761 1/20 0.38

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
SCHEMBL9614447 0.89 KDM4E (0.48) ALDH1A1CA9CA12KMT2AKDM4E
SCHEMBL5269925 0.88 TDP1 (0.48) ALDH1A1CA9CA12KMT2AKDM4E
SCHEMBL30149754 0.88 TDP1 (0.48) ALDH1A1CA9CA12KMT2AKDM4E
Bromide SCHEMBL7547474 0.86 MAP1LC3B (0.46) MAP2K1ALDH1A1CA9CA12NPY4R
SCHEMBL6858825 0.85 NPY4R (0.46) ALDH1A1CA9CA12KMT2ANPY4R
SCHEMBL7934318 0.85 ALDH1A1 (0.51) MAP2K1ALDH1A1KMT2AKDM4E
SCHEMBL7541299 0.85 KDM4E (0.56) ALDH1A1CA9CA12KMT2AKDM4E
SCHEMBL11167689 0.85 MAP2K1 (0.50) MAP2K1ALDH1A1ARCA9CA12
SCHEMBL18190281 0.83 TDP1 (0.46) ALDH1A1CA9CA12KMT2AKDM4E
SCHEMBL7740151 0.82 KDM4E (0.59) ALDH1A1KMT2ANPY4RKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0452330-A4 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM 1992-10-14 EP claimed
EP-0452330-A1 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM TOTEM HEALTH SCIENCES, INC. (CA) 1991-10-23 EP claimed
WO-1990004644-A1 METHOD AND APPARATUS FOR DIAGNOSING INTRACELLULAR PARASITE INFECTIONS USING AN ENZYME DETECTION SYSTEM TOTEM HEALTH SCIENCES, INC. (CA) 1990-05-03 WO claimed