SCHEMBL29956310

SCHEMBL29956310

O=Cc1c(C(F)F)nn(-c2ccccc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
MAPT P10636 9/20 0.42
LMNA P02545 6/20 0.42
ALDH1A1 P00352 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
RECQL P46063 2/20 0.42
RAB9A P51151 5/20 0.40
MAPK1 P28482 4/20 0.40
HTT P42858 2/20 0.40
NPC1 O15118 4/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 3/20 0.38
HPGD P15428 3/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 1/20 0.37
POLB P06746 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4C Q9H3R0 1/20 0.37
GAA P10253 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
SCHEMBL29956884 0.88 SMN1; SMN2 (0.47) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL15331536 0.88 PTGS2 (0.40) SMN1; SMN2MAPTLMNARAB9AMAPK1
SCHEMBL2571901 0.87 KMT2A (0.42) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL2559349 0.87 MAPT (0.40) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL15330926 0.87 SMN1; SMN2 (0.31) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL2558267 0.85 MAPT (0.41) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL2559442 0.85 MAPT (0.37) SMN1; SMN2MAPTLMNAALDH1A1NPSR1
SCHEMBL2557372 0.85 IDO1 (0.37) MAPTLMNATP53MEN1KMT2A
SCHEMBL29923212 0.85 IDO1 (0.37) MAPTLMNATP53MEN1KMT2A
SCHEMBL15332195 0.84 NPBWR1 (0.34) SMN1; SMN2MAPTLMNAALDH1A1NPSR1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed