SCHEMBL4015317

SCHEMBL4015317

O=C(OCCN(Cc1ccccn1)Cc1ccccn1)c1ccccc1Nc1cccc(C(F)(F)F)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.60
CYP1A2 P05177 2/20 0.60
CYP2C9 P11712 2/20 0.60
CYP2C19 P33261 1/20 0.60
TEAD4 Q15561 2/20 0.50
YAP1 P46937 1/20 0.50
TEAD2 Q15562 1/20 0.50
RXFP1 Q9HBX9 4/20 0.49
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
OPRK1 P41145 1/20 0.48
HTR2B P41595 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PDE4D Q08499 1/20 0.48
KCNH2 Q12809 1/20 0.48
SIRT2 Q8IXJ6 2/20 0.46
AURKA O14965 1/20 0.46
MAPK8 P45983 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TDP1 Q9NUW8 2/20 0.45

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
SCHEMBL4563521 0.84 LMNA (0.68) LMNACYP1A2CYP2C9CYP2C19TEAD4
SCHEMBL3812938 0.81 LMNA (0.70) LMNACYP1A2CYP2C9CYP2C19TEAD4
Acetic Acid SCHEMBL28343495 0.81 LMNA (0.64) LMNACYP1A2CYP2C9CYP2C19TEAD4
SCHEMBL13768445 0.80 ALDH1A1 (0.43) LMNACYP1A2CYP2C9CYP2C19TEAD4
SCHEMBL12715082 0.79 LMNA (0.91) LMNACYP1A2CYP2C9CYP2C19TEAD4
SCHEMBL3807352 0.77 PDE4D (0.64) LMNACYP1A2CYP2C9CYP2C19TEAD4
Ufenamate SCHEMBL36095 0.76 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19TEAD4
Ufenamate SCHEMBL29376700 0.76 CYP1A2 (0.72) LMNACYP1A2CYP2C9CYP2C19TEAD4
SCHEMBL10597386 0.76 LMNA (0.71) LMNACYP1A2CYP2C9CYP2C19TEAD4
Etofenamate SCHEMBL25152 0.76 LMNA (1.00) LMNACYP1A2CYP2C9CYP2C19TEAD4

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-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO claimed
WO-2009084737-A1 COMPOUND HAVING ACTIVITY TO SUPPRESS DEGRANULATION AND CYTOKINE PRODUCTION AND USE THEREOF INTERPROTEIN CORPORATION (JP) 2009-07-09 WO disclosed