SCHEMBL21100619

SCHEMBL21100619

Cc1ccc(-c2ccc(CCCNC(=O)c3cccnc3C)cc2)cc1I

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 3/20 0.48
PTAFR P25105 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
P2RX7 Q99572 1/20 0.44
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NLRP1 Q9C000 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
KDM4B O94953 1/20 0.40
PSEN1 P49768 1/20 0.40
PSEN2 P49810 1/20 0.40
APH1B Q8WW43 1/20 0.40
NCSTN Q92542 1/20 0.40

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
SCHEMBL21045402 0.80 KDM4B (0.46) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL29411607 0.80 KDM4B (0.46) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL21100618 0.80 KDM4E (0.55) PTAFRALDH1A1PSEN1PSEN2APH1B
SCHEMBL21045196 0.79 ROCK2 (0.49) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL29411659 0.79 ROCK2 (0.49) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL21045197 0.79 SMN1; SMN2 (0.41) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL21045077 0.79 POLB (0.43) SMN1; SMN2HPGDPTAFRNPC1RAB9A
SCHEMBL21045225 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HPGDNPC1RAB9AP2RX7
SCHEMBL29411490 0.78 SMN1; SMN2 (0.49) SMN1; SMN2HPGDNPC1RAB9AP2RX7
SCHEMBL21045121 0.78 SMN1; SMN2 (0.43) SMN1; SMN2HPGDPTAFRNPC1RAB9A

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