SCHEMBL7418154

SCHEMBL7418154

COc1ccc2c(C(F)(F)F)nc(=O)[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 5/20 0.56
KDM4E B2RXH2 8/20 0.50
ALDH1A1 P00352 6/20 0.45
HPGD P15428 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CDK4 P11802 2/20 0.45
CCND1 P24385 2/20 0.45
HSD17B10 Q99714 4/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ACHE P22303 2/20 0.42
CDK2 P24941 2/20 0.42
EPHX2 P34913 1/20 0.42
DYRK3 O43781 1/20 0.42
CCNT1 O60563 1/20 0.42
CCNB2 O95067 1/20 0.42
CYP1A2 P05177 1/20 0.42
CDK1 P06493 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADRA2A P08913 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL7410811 0.89 ALDH1A1 (0.51) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14347582 0.87 KDM4E (0.51) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4782075 0.79 KDM4E (0.59) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1622459 0.78 KDM4E (0.54) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL27951831 0.78 METAP2 (0.41) DYRK1AKDM4EALDH1A1CDK4CCND1
SCHEMBL12348055 0.76 DYRK1A (0.55) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14374836 0.75 KDM4E (0.51) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL13729799 0.74 MEN1 (0.61) DYRK1AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL1772236 0.74 KDM4E (0.65) KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL26086462 0.73 KDM4E (0.53) KDM4EALDH1A1HPGDSMN1; SMN2HSD17B10

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
US-4631283-A RENAL VASODILATORS, CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1986-12-23 US disclosed
US-4490374-A CARDIOVASCULAR AGENTS ORTHO PHARMACEUTICAL CORPORATION (US) 1984-12-25 US disclosed
EP-0107398-A1 Ortho substituted dihydroxy-2(1H)quinazolinone-1-alkanoic acids ORTHO PHARMACEUTICAL CORPORATION (US) 1984-05-02 EP disclosed