SCHEMBL11083245

SCHEMBL11083245

O=C(c1ccccc1)C(Br)CCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MDM2 Q00987 1/20 0.52
▸ HPGD P15428 1/20 0.50
▸ KMT2A Q03164 3/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CASP3 P42574 1/20 0.46
▸ SENP8 Q96LD8 1/20 0.46
▸ SENP7 Q9BQF6 1/20 0.46
▸ SENP6 Q9GZR1 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ CNR2 P34972 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CTSG P08311 2/20 0.44
▸ CTRB1 P17538 2/20 0.44
▸ PRSS1 P07477 1/20 0.44
▸ CMA1 P23946 1/20 0.44
▸ HSP90AA1 P07900 1/20 0.44

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
SCHEMBL19104774 0.89 RAB9A (0.51) MDM2HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL11085580 0.85 METAP2 (0.52) KMT2ASMN1; SMN2MEN1NPC1RAB9A
SCHEMBL1303851 0.85 NPC1 (0.60) KMT2AMEN1NPC1RAB9A
SCHEMBL6248066 0.82 CNR2 (0.49) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL5870056 0.82 CNR2 (0.49) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL4061138 0.82 CNR2 (0.49) HPGDKMT2ASMN1; SMN2MEN1HTT
SCHEMBL4257686 0.81 MDM2 (0.66) MDM2KMT2AMEN1TDP1CTRB1
SCHEMBL5214256 0.81 GSK3B (0.47) MDM2HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL9768627 0.79 MAPK1 (0.45) MDM2HPGDKMT2ASMN1; SMN2MEN1
SCHEMBL8472563 0.79 ERAP1 (0.49) HPGDKMT2ASMN1; SMN2MEN1HTT

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
US-4431648-A ANTIDEPRESSANTSD SYNTHELABO (FR) 1984-02-14 — — US disclosed
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