SCHEMBL23888902

SCHEMBL23888902

Bc1ccc(C(=O)CBr)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.54
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ RAB9A P51151 5/20 0.41
▸ NPC1 O15118 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ USP2 O75604 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP8 Q96LD8 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38

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
SCHEMBL10285197 0.81 THRA (0.41) HPGDSMEN1KMT2ALMNAKDM4E
SCHEMBL624930 0.81 SMN1; SMN2 (0.61) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL21755483 0.81 MEN1 (0.63) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL4355417 0.81 HPGDS (0.55) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL3465985 0.81 HPGDS (0.55) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29799615 0.81 SMN1; SMN2 (0.61) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1435371 0.80 HPGDS (0.54) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31605249 0.80 HPGDS (0.54) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1121702 0.80 NPC1 (0.55) HPGDSMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL257236 0.79 ALDH1A1 (0.62) SMN1; SMN2HTTRAB9ANPC1ALDH1A1

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
EP-3888651-A1 DOCK1-INHIBITING COMPOUND AND USE THEREOF Kyushu University, National University Corporation (JP) 2021-10-06 — — EP disclosed
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