SCHEMBL9256649

SCHEMBL9256649

O=C1CC(Sc2ccc(F)cc2)N1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 12/20 0.51
DDB1 Q16531 10/20 0.51
TDP1 Q9NUW8 1/20 0.38
GSK3B P49841 1/20 0.36
BACE1 P56817 1/20 0.36
TP53 P04637 1/20 0.33
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 1/20 0.33
MGLL Q99685 1/20 0.32
CREBBP Q92793 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
SCHEMBL9257239 0.81 CRBN (0.51) CRBNDDB1TDP1GAACREBBP
SCHEMBL17276659 0.81 MEN1 (0.37) CRBNDDB1GSK3BGAA
SCHEMBL17276250 0.80 DDB1 (0.55) CRBNDDB1
SCHEMBL17276561 0.80 DDB1 (0.55) CRBNDDB1CREBBP
SCHEMBL8522217 0.80 CRBN (0.47) CRBNDDB1GAACREBBP
SCHEMBL8439360 0.80 CRBN (0.47) CRBNDDB1GAACREBBP
SCHEMBL11036165 0.80 CRBN (0.47) CRBNDDB1GAACREBBP
SCHEMBL17276398 0.79 ALDH1A1 (0.36) CRBNDDB1GAACREBBP
SCHEMBL9253852 0.77 CREBBP (0.44) CRBNDDB1TP53MAPK1LMNA
SCHEMBL8442975 0.77 CRBN (0.55) CRBNDDB1GAACREBBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015179293-A1 SMALL MOLECULE ACTIVATORS AND INHIBITORS OF LECITHIN: CHOLESTEROL ACYLTRANSFERASE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2015-11-26 WO claimed
WO-1995002579-A1 SUBSTITUTED AZETIDINONE AMIDE DERIVATIVES AS ANTI-INFLAMMATORY AND ANTIDEGENERATIVE AGENTS ZENECA LIMITED (GB) 1995-01-26 WO disclosed