SCHEMBL28294083

SCHEMBL28294083

Fc1cccc(NN=C(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
HPGD P15428 3/20 0.54
MEN1 O00255 8/20 0.49
KMT2A Q03164 8/20 0.49
GAA P10253 5/20 0.49
ALOX12 P18054 1/20 0.49
CTSL P07711 2/20 0.47
KCNK3 O14649 1/20 0.47
AGTR1 P30556 1/20 0.47
OPRK1 P41145 1/20 0.47
DEPTOR Q8TB45 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.45
ALDH1A1 P00352 2/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
CTSB P07858 1/20 0.43
MAPT P10636 2/20 0.43
NFKB1 P19838 1/20 0.42
MAPK1 P28482 1/20 0.42

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
SCHEMBL22714090 0.83 MAPT (0.62) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL934433 0.81 GAA (0.61) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL933860 0.80 MEN1 (0.69) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL31213412 0.79 SMN1; SMN2 (0.54) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL3817302 0.79 MEN1 (0.54) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL29420482 0.79 SMN1; SMN2 (0.54) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL29420504 0.79 MAPT (0.59) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL1013028 0.79 KMT2A (0.49) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL23817280 0.76 NPC1 (0.57) RAB9ANPC1MEN1KMT2AGAA
SCHEMBL2905312 0.76 MAPT (0.53) MEN1KMT2AGAASMN1; SMN2ALDH1A1

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
CN-109651376-A A kind of synthetic method of azatropylidene simultaneously [5,4,3-cd] indoles -6- ketone compound 江苏创诺制药有限公司 2019-04-19 CN disclosed