SCHEMBL26667205

SCHEMBL26667205

OCC(CO)(CO)NCC(O)Cn1c2ccc(Br)cc2c2cc(Br)ccc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 9/20 0.61
▸ MAPT P10636 4/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ P2RX3 P56373 1/20 0.55
▸ KMT2A Q03164 3/20 0.54
▸ HTT P42858 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ MEN1 O00255 2/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ TP53 P04637 2/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ BAX Q07812 1/20 0.51
▸ CYP3A4 P08684 1/20 0.50
▸ ALOX15 P16050 1/20 0.50
▸ RAD52 P43351 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ RAB9A P51151 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
SCHEMBL30645225 1.00 DNM1 (0.61) DNM1MAPTSMN1; SMN2P2RX3KMT2A
SCHEMBL406098 0.85 DNM1 (0.62) DNM1MAPTSMN1; SMN2P2RX3KMT2A
SCHEMBL21093044 0.84 RAD52 (0.53) DNM1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL21093026 0.84 RAD52 (0.53) DNM1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL21093057 0.84 RAD52 (0.53) DNM1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL21093337 0.84 RAD52 (0.53) DNM1MAPTSMN1; SMN2KMT2AHTT
SCHEMBL410834 0.81 DNM1 (0.73) DNM1MAPTSMN1; SMN2P2RX3KMT2A
SCHEMBL16099375 0.80 DNM1 (0.67) DNM1MAPTSMN1; SMN2P2RX3KMT2A
SCHEMBL21093003 0.80 BACE1 (0.62) DNM1SMN1; SMN2KDM4EHSD17B10ALDH1A1
SCHEMBL407863 0.80 DNM1 (0.64) DNM1MAPTSMN1; SMN2P2RX3KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023225300-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MANAGING SICKLE CELL DISEASE AND CONDITIONS RELATED THERETO EMORY UNIVERSITY (US) 2023-11-23 — — WO claimed
WO-2023225300-A2 COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS USEFUL FOR MANAGING SICKLE CELL DISEASE AND CONDITIONS RELATED THERETO EMORY UNIVERSITY (US) 2023-11-23 — — WO disclosed
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