SCHEMBL21592910

SCHEMBL21592910

COc1ccc(CCC(O)I)cc1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
HTT P42858 1/20 0.53
TAAR1 Q96RJ0 1/20 0.52
CALM1 P0DP23 2/20 0.52
F2RL1 P55085 1/20 0.49
MAOB P27338 1/20 0.47
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KDM4E B2RXH2 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
IGF1R P08069 1/20 0.46
ALOX15 P16050 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
AOC3 Q16853 1/20 0.46
LDHA P00338 1/20 0.46

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
SCHEMBL7277594 0.84 HTT (0.56) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL2942342 0.82 HTT (0.59) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL2238188 0.82 HTT (0.59) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL10590760 0.81 SMN1; SMN2 (0.53) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL15845537 0.80 KDM4E (0.54) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL11451860 0.79 SLC18A2 (0.52) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL14839522 0.79 AOC3 (0.54) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL7604631 0.79 HTT (0.56) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL24827599 0.78 HTT (0.50) SMN1; SMN2HTTTAAR1CALM1F2RL1
SCHEMBL10928948 0.78 HTT (0.50) SMN1; SMN2HTTTAAR1CALM1F2RL1

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-2019238067-A1 PYRROLO [2, 3-B] PYRIDINES OR PYRROLO [2, 3-B] PYRAZINES AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2019-12-19 WO disclosed