SCHEMBL19086856

SCHEMBL19086856

Cc1cc(N)nn1Cc1cccc(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
GRM2 Q14416 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DPP4 P27487 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
P2RY14 Q15391 1/20 0.42
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL19086963 0.84 ALDH1A1 (0.59) L3MBTL1CYP11B1CYP11B2ALDH1A1SMN1; SMN2
SCHEMBL2360443 0.83 SLC2A1 (0.58) ALDH1A1SMN1; SMN2RAB9A
SCHEMBL17627070 0.82 KDM4E (0.56) L3MBTL1ALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL3186423 0.82 SMN1; SMN2 (0.56) CYP11B1CYP11B2ALDH1A1SMN1; SMN2TDP1
SCHEMBL3180386 0.81 POLB (0.52) L3MBTL1ALDH1A1SMN1; SMN2P2RY14KDM4E
SCHEMBL3169560 0.81 GAA (0.48) CYP11B1CYP11B2ALDH1A1SMN1; SMN2TDP1
SCHEMBL17459009 0.78 L3MBTL1 (0.48) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL16832960 0.78 SLC2A1 (0.68) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL18321167 0.75 GRM2 (0.52) L3MBTL1GRM2CYP11B1CYP11B2ALDH1A1
SCHEMBL3169680 0.74 POLB (0.61) ALDH1A1SMN1; SMN2RAB9ARXFP1KDM4E

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-2999338-B1 KNOWN AND NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2017-07-12 EP disclosed