SCHEMBL29615308

SCHEMBL29615308

Cc1c(Br)cccc1S(=O)(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.41
MAPT P10636 1/20 0.39
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
PRKCA P17252 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
PRKCH P24723 1/20 0.39
PRKCI P41743 1/20 0.39
PRKCE Q02156 1/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCZ Q05513 1/20 0.39
PRKCD Q05655 1/20 0.39
PRKD1 Q15139 1/20 0.39
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL19897765 1.00 RECQL (0.41) RECQLMAPTPRKD3PRKCGPRKCB
SCHEMBL19897911 0.83 ATM (0.55) RECQLMAPTATMALDH1A1FABP4
SCHEMBL7673435 0.77 CA12 (0.64) MAPTALDH1A1SMN1; SMN2KMT2ACA12
SCHEMBL16509830 0.77 ALPL (0.47) MAPTATMALDH1A1KMT2AMEN1
SCHEMBL19450347 0.76 SIGMAR1 (0.50) ALDH1A1KMT2AMEN1RAB9A
SCHEMBL19897885 0.76 RECQL (0.49) RECQLMAPTALDH1A1KMT2AMEN1
SCHEMBL24445447 0.75 RAB9A (0.36) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL8576412 0.75 ALDH1A1 (0.56) MAPTALDH1A1KMT2AHTTMEN1
SCHEMBL10163642 0.73 CYP4F2 (0.40) ALDH1A1KMT2AHTTMEN1NPC1
SCHEMBL7650172 0.72 PRMT1 (0.52) ATMALDH1A1SMN1; SMN2KMT2A

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-3507284-B1 BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS BRISTOL MYERS SQUIBB CO (US) 2022-05-25 EP disclosed