SCHEMBL21100474

SCHEMBL21100474

Cc1ncccc1C(=O)NCCCc1ccc(-c2ccc(N)c(C=N)c2C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CNR1 P21554 1/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NLRP1 Q9C000 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
SCHEMBL21100475 0.81 NPC1 (0.41) SMN1; SMN2CNR1ROCK2ROCK1JAK2
SCHEMBL21045225 0.77 SMN1; SMN2 (0.49) P2RX7HPGDSMN1; SMN2CNR1NPC1
SCHEMBL29411490 0.77 SMN1; SMN2 (0.49) P2RX7HPGDSMN1; SMN2CNR1NPC1
SCHEMBL21045413 0.77 PDK1 (0.43) P2RX7HPGDSMN1; SMN2CNR1ROCK2
SCHEMBL21118917 0.74 HPGD (0.41) P2RX7HPGDSMN1; SMN2CNR1ROCK2
SCHEMBL21045267 0.73 DHODH (0.48) P2RX7HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL29411513 0.73 DHODH (0.48) P2RX7HPGDSMN1; SMN2MEN1KMT2A
SCHEMBL21100619 0.73 SMN1; SMN2 (0.48) P2RX7HPGDSMN1; SMN2CNR1ROCK2
SCHEMBL21100313 0.72 SMN1; SMN2 (0.47) P2RX7HPGDSMN1; SMN2NPC1MEN1
SCHEMBL21100614 0.71 SMN1; SMN2 (0.46) P2RX7HPGDSMN1; SMN2NPC1MEN1

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
WO-2019113242-A1 TUBULIN INHIBITORS Lin BioScience, LLC (US) 2019-06-13 WO disclosed