SCHEMBL5035755

SCHEMBL5035755

O=C(O)c1cnn2c(C(F)F)cc(-c3ccc(Cl)c(Cl)c3)cc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 1/20 0.42
CRHBP P24387 1/20 0.42
MC4R P32245 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
KMO O15229 9/20 0.42
TP53 P04637 2/20 0.39
THRB P10828 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
LMNA P02545 1/20 0.37
DHODH Q02127 1/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
POLB P06746 1/20 0.37
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37

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
SCHEMBL312804 0.81 TP53 (0.56) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5034901 0.80 ALDH1A1 (0.43) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL313067 0.71 POLB (0.58) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL312447 0.70 TP53 (0.63) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL312463 0.69 LMNA (0.53) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL312348 0.68 KDM4E (0.71) ALDH1A1MAPTMEN1CRHBPMC4R
SCHEMBL1346824 0.66 KDM4E (0.51) ALDH1A1MEN1KMT2ALMNADHODH
SCHEMBL4211561 0.65 KMT2A (0.73) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL4211047 0.65 LMNA (0.74) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL15993165 0.65 ALDH1A1 (0.77) ALDH1A1MAPTSMN1; SMN2MEN1KMT2A

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
EP-1761541-B1 PYRRAZOLO-PYRIMIDINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-01-09 EP disclosed