SCHEMBL28512058

SCHEMBL28512058

CC(C)(C)OC(=O)NCCCSc1ccc(Br)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
USP2 O75604 1/20 0.48
FPR3 P25089 4/20 0.47
FPR2 P25090 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA12 O43570 5/20 0.46
CA1 P00915 5/20 0.46
CA2 P00918 5/20 0.46
CA9 Q16790 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
HSP90AA1 P07900 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
IDO1 P14902 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL18295921 0.92 L3MBTL1 (0.55) LMNAUSP2FPR3FPR2L3MBTL1
SCHEMBL14558708 0.86 GAA (0.51) LMNATDP1CA12CA1CA2
SCHEMBL24928322 0.84 CA1 (0.44) LMNATDP1CA12CA1CA2
SCHEMBL8795442 0.84 TDP1 (0.47) LMNATDP1CA12CA1CA2
SCHEMBL24762018 0.82 TDP1 (0.51) LMNAUSP2FPR3FPR2TDP1
SCHEMBL4969884 0.81 CA12 (0.68) FPR3FPR2TDP1CA12CA1
SCHEMBL7527120 0.81 IDO1 (0.50) LMNATDP1CA12CA1CA2
SCHEMBL10493712 0.80 TDP1 (0.49) LMNATDP1CA12CA1CA2
SCHEMBL2147505 0.80 CA12 (0.69) FPR3FPR2TDP1CA12CA1
SCHEMBL7894530 0.79 MTNR1A (0.48) TDP1CA12CA1CA2CA9

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-112243439-A Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof 百济神州有限公司 2021-01-19 CN disclosed