SCHEMBL5772537

SCHEMBL5772537

COc1cccc([C@]2(C#N)CC[C@@H](N3CCNCC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
ADRB1 P08588 1/20 0.44
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
HTR2C P28335 2/20 0.40
ALDH1A1 P00352 1/20 0.40
SLC6A4 P31645 2/20 0.40
SIGMAR1 Q99720 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
CYP2D6 P10635 1/20 0.38
CTSD P07339 1/20 0.38
CTSE P14091 1/20 0.38
BACE1 P56817 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
SCHEMBL5482313 1.00 KMT2A (0.61) KMT2AADRB1PDCD1CD274HTR2C
SCHEMBL5482311 1.00 KMT2A (0.61) KMT2AADRB1PDCD1CD274HTR2C
Hydrochloric Acid SCHEMBL4876770 0.99 KMT2A (0.60) KMT2AADRB1PDCD1CD274HTR2C
Hydrochloric Acid SCHEMBL4876659 0.99 KMT2A (0.60) KMT2AADRB1PDCD1CD274HTR2C
Hydrochloric Acid SCHEMBL4876651 0.99 KMT2A (0.60) KMT2AADRB1PDCD1CD274HTR2C
SCHEMBL5742585 0.91 KMT2A (0.65) KMT2AADRB1PDCD1CD274HTR2C
Hydrochloric Acid SCHEMBL4880648 0.90 KMT2A (0.63) KMT2AADRB1PDCD1CD274HTR2C
SCHEMBL5469094 0.88 KMT2A (0.64) KMT2APDCD1CD274ALDH1A1SLC6A4
SCHEMBL5475847 0.88 KMT2A (0.75) KMT2APDCD1CD274ALDH1A1SLC6A4
SCHEMBL5475853 0.88 KMT2A (0.75) KMT2APDCD1CD274ALDH1A1SLC6A4

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-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed