SCHEMBL7958892

SCHEMBL7958892

COCCCCOCc1cc(Br)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.43
KDM4E B2RXH2 5/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 4/20 0.35
BRD4 O60885 1/20 0.34
BRD2 P25440 1/20 0.34
BRD3 Q15059 1/20 0.34
BRDT Q58F21 1/20 0.34
LMNA P02545 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
ALOX12 P18054 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
USP28 Q96RU2 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL7959537 0.90 SLC6A4 (0.36) SLC6A4KDM4EKMT2AALDH1A1BRD4
SCHEMBL7963460 0.86 SMN1; SMN2 (0.40) KMT2AALDH1A1LMNAUSP28NPC1
SCHEMBL27477789 0.86 CCR5 (0.36) SLC6A4KMT2AALDH1A1LMNAUSP28
SCHEMBL7963068 0.86 USP28 (0.34) SLC6A4KMT2AALDH1A1BRD4BRD2
SCHEMBL7963454 0.84 USP28 (0.41) SLC6A4KMT2AALDH1A1BRD4BRD2
SCHEMBL7948978 0.84 ALDH1A1 (0.38) SLC6A4ALDH1A1BRD4BRD2BRD3
SCHEMBL7959259 0.84 KDM4E (0.43) SLC6A4KDM4EKMT2AALDH1A1LMNA
SCHEMBL7960480 0.83 USP28 (0.35) KMT2AALDH1A1LMNAUSP28MEN1
SCHEMBL7959896 0.82 ALDH1A1 (0.37) SLC6A4ALDH1A1BRD4BRD2BRD3
SCHEMBL7959344 0.82 KDM4E (0.42) SLC6A4KDM4EKMT2AALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed
EP-0789688-A4 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-11-19 EP disclosed
EP-0789688-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-08-20 EP disclosed
WO-1997009308-A1 INDOLYL NEUROPEPTIDE Y RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-03-13 WO disclosed