SCHEMBL6856019

SCHEMBL6856019

CC(=O)/C(=C/c1cccnc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.55
LMNA P02545 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CYP11B2 P19099 2/20 0.51
CYP19A1 P11511 1/20 0.51
MAPK1 P28482 2/20 0.49
KDM4E B2RXH2 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
JUN P05412 1/20 0.49
NFKB1 P19838 1/20 0.49
GPR55 Q9Y2T6 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.46
TBXAS1 P24557 3/20 0.46
CYP11B1 P15538 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APAF1 O14727 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL6855117 1.00 MAPT (0.55) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL8039279 0.91 MAPT (0.59) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL11864148 0.90 CYP11B2 (0.58) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL7957742 0.83 AKR1C3 (0.63) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL7957744 0.83 AKR1C3 (0.63) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL10991105 0.83 MAPT (0.74) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL10373700 0.83 MAPT (0.74) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL5468466 0.83 ALDH1A1 (0.51) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL5468470 0.83 ALDH1A1 (0.51) MAPTLMNASMN1; SMN2CYP11B2CYP19A1
SCHEMBL7127950 0.81 MAPT (0.55) MAPTLMNASMN1; SMN2CYP11B2CYP19A1

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-6783557-B1 NOVEL PYRAZOLO(1,5-A)PYRIMIDINES COMPRISING AT LEAST ONE CATIONIC GROUP L'OREAL S.A. (FR) 2004-08-31 US disclosed