SCHEMBL9253852

SCHEMBL9253852

CC(C)(C)c1ccc(SC2CC(=O)N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.44
BRD4 O60885 1/20 0.44
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
ALDH1A1 P00352 2/20 0.39
TNKS2 Q9H2K2 2/20 0.36
TNKS O95271 1/20 0.36
PARP3 Q9Y6F1 1/20 0.36
KMT2A Q03164 1/20 0.35
HTR1A P08908 1/20 0.35
HTR3A P46098 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 1/20 0.33
DHPS P49366 1/20 0.33
PTGIR P43119 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
NFKB1 P19838 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL17276250 0.83 DDB1 (0.55) DDB1CRBNHTR1AHTR3ADAO
SCHEMBL9257239 0.80 CRBN (0.51) CREBBPBRD4DDB1CRBNALDH1A1
SCHEMBL17276659 0.80 MEN1 (0.37) DDB1CRBNALDH1A1KMT2ANPC1
SCHEMBL9256649 0.77 CRBN (0.51) CREBBPDDB1CRBNTP53MAPK1
SCHEMBL8442975 0.76 CRBN (0.55) CREBBPBRD4DDB1CRBNKMT2A
SCHEMBL8439360 0.76 CRBN (0.47) CREBBPBRD4DDB1CRBNALDH1A1
SCHEMBL11036165 0.76 CRBN (0.47) CREBBPBRD4DDB1CRBNALDH1A1
SCHEMBL8522217 0.76 CRBN (0.47) CREBBPBRD4DDB1CRBNALDH1A1
SCHEMBL12326005 0.73 TNKS2 (0.46) CREBBPBRD4DDB1CRBNTNKS2
SCHEMBL17276597 0.71 CRBN (0.46) CRBNALDH1A1KMT2ASMN1; SMN2MAPT

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
WO-1995002579-A1 SUBSTITUTED AZETIDINONE AMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS ZENECA LIMITED (GB) 1995-01-26 WO disclosed